(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide

C13H20N2OS — CID 81140632

IUPAC(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)[C@H]2CCCNC2)s1
InChIInChI=1S/C13H20N2OS/c1-9-5-6-12(17-9)10(2)15-13(16)11-4-3-7-14-8-11/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyGSJYMOVPIQRABS-DTIOYNMSSA-N
MW252.38 g/mol
LogP2.23
Rot. Bonds3

About (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide

(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 81140632) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID81140632
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)[C@H]2CCCNC2)s1
InChIInChI=1S/C13H20N2OS/c1-9-5-6-12(17-9)10(2)15-13(16)11-4-3-7-14-8-11/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyGSJYMOVPIQRABS-DTIOYNMSSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 107068069
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 54953950
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 43703387
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide (CID 81140632) is (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide is Cc1ccc(C(C)NC(=O)[C@H]2CCCNC2)s1.
What is the InChIKey of (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is GSJYMOVPIQRABS-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-5-6-12(17-9)10(2)15-13(16)11-4-3-7-14-8-11/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide?
(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81140632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).