3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide

C15H23N3OS — CID 119074455

IUPAC3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
SMILESCC1CCCCN1C1CN(C(=O)NCc2ccsc2)C1
InChIInChI=1S/C15H23N3OS/c1-12-4-2-3-6-18(12)14-9-17(10-14)15(19)16-8-13-5-7-20-11-13/h5,7,11-12,14H,2-4,6,8-10H2,1H3,(H,16,19)
InChIKeyYHDCJBSDTCECIU-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.52
Rot. Bonds3

About 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide

3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide (PubChem CID 119074455) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
PubChem CID119074455
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
SMILESCC1CCCCN1C1CN(C(=O)NCc2ccsc2)C1
InChIInChI=1S/C15H23N3OS/c1-12-4-2-3-6-18(12)14-9-17(10-14)15(19)16-8-13-5-7-20-11-13/h5,7,11-12,14H,2-4,6,8-10H2,1H3,(H,16,19)
InChIKeyYHDCJBSDTCECIU-UHFFFAOYSA-N
XLogP2.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
CID 119074138
N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 130650634
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445475
3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 75379878
3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide
CID 122562542
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 128997791
N'-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110933988
methyl 1-[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]piperidine-4-carboxylate
CID 111253439
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
CID 96579253
N-[3-(furan-2-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125176510

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide (CID 119074455) is 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide is CC1CCCCN1C1CN(C(=O)NCc2ccsc2)C1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide?
The InChIKey is YHDCJBSDTCECIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-4-2-3-6-18(12)14-9-17(10-14)15(19)16-8-13-5-7-20-11-13/h5,7,11-12,14H,2-4,6,8-10H2,1H3,(H,16,19).
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide?
3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 119074455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).