2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide

C22H40N4O4 — CID 76843012

IUPAC2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide
SMILESCN(C(=O)C(NC(=O)C(CC1CCCC1)CN(O)C=O)C(C)(C)C)C1CCNCC1
InChIInChI=1S/C22H40N4O4/c1-22(2,3)19(21(29)25(4)18-9-11-23-12-10-18)24-20(28)17(14-26(30)15-27)13-16-7-5-6-8-16/h15-19,23,30H,5-14H2,1-4H3,(H,24,28)
InChIKeyFHIKAKXTLLYHHM-UHFFFAOYSA-N
MW424.59 g/mol
LogP1.77
Rot. Bonds9

About 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide

2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide (PubChem CID 76843012) has the molecular formula C22H40N4O4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound Name2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide
PubChem CID76843012
Molecular FormulaC22H40N4O4
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide
SMILESCN(C(=O)C(NC(=O)C(CC1CCCC1)CN(O)C=O)C(C)(C)C)C1CCNCC1
InChIInChI=1S/C22H40N4O4/c1-22(2,3)19(21(29)25(4)18-9-11-23-12-10-18)24-20(28)17(14-26(30)15-27)13-16-7-5-6-8-16/h15-19,23,30H,5-14H2,1-4H3,(H,24,28)
InChIKeyFHIKAKXTLLYHHM-UHFFFAOYSA-N
XLogP1.77
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N,3,3-trimethylbutanamide
CID 58628941
(2S)-2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-[1-(1,2,5-trimethylpyrrole-3-carbonyl)piperidin-4-yl]butanamide
CID 142820471
(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-N,3,3-trimethylbutanamide
CID 58628935
N-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]-2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethylbutanamide
CID 76842978
(2S)-2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N-[1-[2-[(dimethylamino)methyl]furan-3-carbonyl]piperidin-4-yl]-N,3,3-trimethylbutanamide
CID 142820473
(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]butanamide
CID 58628952
(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]butanamide
CID 58628960
(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-[1-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]butanamide
CID 58628972
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 52933515
2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide
CID 22673441
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-(4,5,6,7-tetrafluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74220896
N-[1-[2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 72567596

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide?
The IUPAC name of 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide (CID 76843012) is 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide.
What is the SMILES notation for 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide?
The canonical SMILES for 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide is CN(C(=O)C(NC(=O)C(CC1CCCC1)CN(O)C=O)C(C)(C)C)C1CCNCC1.
What is the InChIKey of 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide?
The InChIKey is FHIKAKXTLLYHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O4/c1-22(2,3)19(21(29)25(4)18-9-11-23-12-10-18)24-20(28)17(14-26(30)15-27)13-16-7-5-6-8-16/h15-19,23,30H,5-14H2,1-4H3,(H,24,28).
What are the key properties of 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide?
2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide has a molecular weight of 424.59 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 76843012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).