(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide

C14H22N2OS — CID 81124404

IUPAC(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCCNC1)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-10(2)13(12-6-4-8-18-12)16-14(17)11-5-3-7-15-9-11/h4,6,8,10-11,13,15H,3,5,7,9H2,1-2H3,(H,16,17)/t11-,13?/m1/s1
InChIKeyVEIRCTUAMDOTAI-JTDNENJMSA-N
MW266.41 g/mol
LogP2.56
Rot. Bonds4

About (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide

(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 81124404) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
PubChem CID81124404
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCCNC1)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-10(2)13(12-6-4-8-18-12)16-14(17)11-5-3-7-15-9-11/h4,6,8,10-11,13,15H,3,5,7,9H2,1-2H3,(H,16,17)/t11-,13?/m1/s1
InChIKeyVEIRCTUAMDOTAI-JTDNENJMSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide
CID 119300996
(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
(2R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]oxolane-2-carboxamide
CID 39968344
(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 81140632

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide (CID 81124404) is (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide is CC(C)C(NC(=O)[C@@H]1CCCNC1)c1cccs1.
What is the InChIKey of (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide?
The InChIKey is VEIRCTUAMDOTAI-JTDNENJMSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)13(12-6-4-8-18-12)16-14(17)11-5-3-7-15-9-11/h4,6,8,10-11,13,15H,3,5,7,9H2,1-2H3,(H,16,17)/t11-,13?/m1/s1.
What are the key properties of (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide?
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 81124404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).