4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide

C20H31N3O3 — CID 87749504

IUPAC4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESN[C@@H](CCc1ccccc1)CC(=O)N1CCC(CCCC(=O)NO)CC1
InChIInChI=1S/C20H31N3O3/c21-18(10-9-16-5-2-1-3-6-16)15-20(25)23-13-11-17(12-14-23)7-4-8-19(24)22-26/h1-3,5-6,17-18,26H,4,7-15,21H2,(H,22,24)/t18-/m0/s1
InChIKeyJSFAPQFHCMWDDA-SFHVURJKSA-N
MW361.49 g/mol
LogP2.25
Rot. Bonds9

About 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide

4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide (PubChem CID 87749504) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
PubChem CID87749504
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESN[C@@H](CCc1ccccc1)CC(=O)N1CCC(CCCC(=O)NO)CC1
InChIInChI=1S/C20H31N3O3/c21-18(10-9-16-5-2-1-3-6-16)15-20(25)23-13-11-17(12-14-23)7-4-8-19(24)22-26/h1-3,5-6,17-18,26H,4,7-15,21H2,(H,22,24)/t18-/m0/s1
InChIKeyJSFAPQFHCMWDDA-SFHVURJKSA-N
XLogP2.25
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.25
H-Bond Donors ≤ 53
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

4-[1-[(3R)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749494
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide
CID 73125115
4-[1-[(2S)-2-(dimethylamino)-4-phenylbutyl]piperidin-4-yl]-N-hydroxybutanamide
CID 141152835
4-[1-[3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749330
4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749331
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87748465
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
CID 58723486

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide (CID 87749504) is 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide is N[C@@H](CCc1ccccc1)CC(=O)N1CCC(CCCC(=O)NO)CC1.
What is the InChIKey of 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The InChIKey is JSFAPQFHCMWDDA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O3/c21-18(10-9-16-5-2-1-3-6-16)15-20(25)23-13-11-17(12-14-23)7-4-8-19(24)22-26/h1-3,5-6,17-18,26H,4,7-15,21H2,(H,22,24)/t18-/m0/s1.
What are the key properties of 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide?
4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide has a molecular weight of 361.49 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide is sourced from PubChem (CID 87749504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).