(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide

C20H26N2O2S — CID 42191121

IUPAC(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide
SMILESCSCCCN1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2)C1
InChIInChI=1S/C20H26N2O2S/c1-25-14-4-12-22-11-2-5-17(15-22)20(23)21-18-9-7-16(8-10-18)19-6-3-13-24-19/h3,6-10,13,17H,2,4-5,11-12,14-15H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyUVMHFIXWSRQXQV-QGZVFWFLSA-N
MW358.51 g/mol
LogP4.35
Rot. Bonds7

About (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide

(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide (PubChem CID 42191121) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide
PubChem CID42191121
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide
SMILESCSCCCN1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2)C1
InChIInChI=1S/C20H26N2O2S/c1-25-14-4-12-22-11-2-5-17(15-22)20(23)21-18-9-7-16(8-10-18)19-6-3-13-24-19/h3,6-10,13,17H,2,4-5,11-12,14-15H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyUVMHFIXWSRQXQV-QGZVFWFLSA-N
XLogP4.35
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 45175122
(3S)-N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 94909017
1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45220934
1-[(3,4-difluorophenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide
CID 162659444
(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 25374621
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
CID 42348707
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide
CID 42526517
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
1-(3-morpholin-4-ylpropyl)-N-phenylpiperidine-3-carboxamide
CID 56798820
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24794194
N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
CID 45172863

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide (CID 42191121) is (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide is CSCCCN1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2)C1.
What is the InChIKey of (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide?
The InChIKey is UVMHFIXWSRQXQV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-25-14-4-12-22-11-2-5-17(15-22)20(23)21-18-9-7-16(8-10-18)19-6-3-13-24-19/h3,6-10,13,17H,2,4-5,11-12,14-15H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide?
(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 42191121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).