3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide

C16H25N3OS — CID 126425885

IUPAC3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1cccs1
InChIInChI=1S/C16H25N3OS/c1-2-14(15-7-6-10-21-15)17-16(20)19-11-13(12-19)18-8-4-3-5-9-18/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyXVAAOGRHGYKFPF-AWEZNQCLSA-N
MW307.46 g/mol
LogP3.08
Rot. Bonds4

About 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide

3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide (PubChem CID 126425885) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
PubChem CID126425885
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1cccs1
InChIInChI=1S/C16H25N3OS/c1-2-14(15-7-6-10-21-15)17-16(20)19-11-13(12-19)18-8-4-3-5-9-18/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyXVAAOGRHGYKFPF-AWEZNQCLSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 97096465
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 129431123
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]pyrrolidine-1-carboxamide
CID 98203059
2-thiophen-3-yl-N-(1-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 75379628
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655
4-(2-methylpyrazol-3-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124607053
(2R,4R)-4-hydroxy-1-(1-thiophen-2-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999392

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide?
The IUPAC name of 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide (CID 126425885) is 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide?
The canonical SMILES for 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide is CC[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1cccs1.
What is the InChIKey of 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide?
The InChIKey is XVAAOGRHGYKFPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-14(15-7-6-10-21-15)17-16(20)19-11-13(12-19)18-8-4-3-5-9-18/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide?
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide is sourced from PubChem (CID 126425885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).