(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide

C18H22N4O3 — CID 94176966

IUPAC(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CCCc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H22N4O3/c19-17(24)14-8-5-11-22(12-14)16(23)10-4-9-15-20-18(21-25-15)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,19,24)/t14-/m0/s1
InChIKeyGXXGRHIKYXLVJY-AWEZNQCLSA-N
MW342.40 g/mol
LogP1.78
Rot. Bonds6

About (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide

(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide (PubChem CID 94176966) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
PubChem CID94176966
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CCCc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H22N4O3/c19-17(24)14-8-5-11-22(12-14)16(23)10-4-9-15-20-18(21-25-15)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,19,24)/t14-/m0/s1
InChIKeyGXXGRHIKYXLVJY-AWEZNQCLSA-N
XLogP1.78
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperidine-4-carboxamide
CID 46429860
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
1-[(3S)-3-benzylpiperidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 92574520
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 9225619
(3S)-N-phenyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 38936169
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 70763009
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide
CID 134011729
N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119482272
(3S)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 119136450
1-(4-benzhydrylpiperazin-1-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 39428061
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 39581934

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide (CID 94176966) is (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)CCCc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide?
The InChIKey is GXXGRHIKYXLVJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-17(24)14-8-5-11-22(12-14)16(23)10-4-9-15-20-18(21-25-15)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,19,24)/t14-/m0/s1.
What are the key properties of (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide?
(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 94176966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).