(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide

C20H27Cl2N3O3 — CID 59979568

IUPAC(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
SMILESO=C(C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)NO
InChIInChI=1S/C20H27Cl2N3O3/c21-17-6-5-16(13-18(17)22)24-7-9-25(10-8-24)20(27)15(12-19(26)23-28)11-14-3-1-2-4-14/h5-6,13-15,28H,1-4,7-12H2,(H,23,26)/t15-/m1/s1
InChIKeyQEMIMGROJUKDKP-OAHLLOKOSA-N
MW428.36 g/mol
LogP3.73
Rot. Bonds6

About (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide

(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide (PubChem CID 59979568) has the molecular formula C20H27Cl2N3O3 and a molecular weight of 428.36 g/mol. Its IUPAC name is (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
PubChem CID59979568
Molecular FormulaC20H27Cl2N3O3
Molecular Weight428.36 g/mol
Exact Mass427.14
IUPAC Name(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
SMILESO=C(C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)NO
InChIInChI=1S/C20H27Cl2N3O3/c21-17-6-5-16(13-18(17)22)24-7-9-25(10-8-24)20(27)15(12-19(26)23-28)11-14-3-1-2-4-14/h5-6,13-15,28H,1-4,7-12H2,(H,23,26)/t15-/m1/s1
InChIKeyQEMIMGROJUKDKP-OAHLLOKOSA-N
XLogP3.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
CID 159115920
(2R)-2-(cyclopentylmethyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-5-hydroxypentane-1,4-dione
CID 58509567
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
N-[(2R)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24739182
N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide
CID 24739181
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide
CID 172991396
3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide
CID 123968517
2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one
CID 69184296
N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 167917066
4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 96564120

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide?
The IUPAC name of (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide (CID 59979568) is (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide.
What is the SMILES notation for (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide?
The canonical SMILES for (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide is O=C(C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)NO.
What is the InChIKey of (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide?
The InChIKey is QEMIMGROJUKDKP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27Cl2N3O3/c21-17-6-5-16(13-18(17)22)24-7-9-25(10-8-24)20(27)15(12-19(26)23-28)11-14-3-1-2-4-14/h5-6,13-15,28H,1-4,7-12H2,(H,23,26)/t15-/m1/s1.
What are the key properties of (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide?
(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide has a molecular weight of 428.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide is sourced from PubChem (CID 59979568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).