(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide

C29H44N4O5 — CID 11962306

IUPAC(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide
SMILESCC(C)(C)[C@H](NC(=O)[C@@H](CC(=O)NO)CC1CCCC1)C(=O)N1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H44N4O5/c1-29(2,3)26(31-27(36)22(19-25(35)32-38)17-20-11-7-8-12-20)28(37)33-15-13-23(14-16-33)30-24(34)18-21-9-5-4-6-10-21/h4-6,9-10,20,22-23,26,38H,7-8,11-19H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t22-,26-/m1/s1
InChIKeyOFQCSKPNQUQUFK-ATIYNZHBSA-N
MW528.69 g/mol
LogP2.96
Rot. Bonds10

About (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide

(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide (PubChem CID 11962306) has the molecular formula C29H44N4O5 and a molecular weight of 528.69 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide
PubChem CID11962306
Molecular FormulaC29H44N4O5
Molecular Weight528.69 g/mol
Exact Mass528.33
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide
SMILESCC(C)(C)[C@H](NC(=O)[C@@H](CC(=O)NO)CC1CCCC1)C(=O)N1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H44N4O5/c1-29(2,3)26(31-27(36)22(19-25(35)32-38)17-20-11-7-8-12-20)28(37)33-15-13-23(14-16-33)30-24(34)18-21-9-5-4-6-10-21/h4-6,9-10,20,22-23,26,38H,7-8,11-19H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t22-,26-/m1/s1
InChIKeyOFQCSKPNQUQUFK-ATIYNZHBSA-N
XLogP2.96
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.69
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide with MolForge

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Related Compounds

(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 11962301
phenyl 4-[(2S)-2-[[(2R)-2-(cyclopentylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]piperazine-1-carboxylate
CID 58893013
benzyl 4-[(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]-1,4-diazepane-1-carboxylate
CID 58893016
N-[1-[2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 72567596
(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-4-oxo-4-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butyl]-3-[formyl(hydroxy)amino]propanamide
CID 87697773
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
3-[[1-(cyclopentylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-6-phenylhexanoic acid
CID 75018149
(2S)-N-[(2R)-1-[4-[(4-acetamidophenyl)methylamino]piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 91173682
(2R)-2-(cyclopentylmethyl)-N-[(2S)-1-[4-(4,7-difluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74221028
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]-N-[(2S)-1-[4-(1H-indol-5-ylmethylamino)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide
CID 127044590

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide (CID 11962306) is (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide is CC(C)(C)[C@H](NC(=O)[C@@H](CC(=O)NO)CC1CCCC1)C(=O)N1CCC(NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide?
The InChIKey is OFQCSKPNQUQUFK-ATIYNZHBSA-N. The full InChI is InChI=1S/C29H44N4O5/c1-29(2,3)26(31-27(36)22(19-25(35)32-38)17-20-11-7-8-12-20)28(37)33-15-13-23(14-16-33)30-24(34)18-21-9-5-4-6-10-21/h4-6,9-10,20,22-23,26,38H,7-8,11-19H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t22-,26-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide?
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide has a molecular weight of 528.69 g/mol, XLogP of 2.96, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide is sourced from PubChem (CID 11962306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).