(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

C23H25N3O2S — CID 25482833

IUPAC(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4nccs4)C3)cc2)c1
InChIInChI=1S/C23H25N3O2S/c1-28-21-6-2-4-18(14-21)17-7-9-20(10-8-17)25-23(27)19-5-3-12-26(15-19)16-22-24-11-13-29-22/h2,4,6-11,13-14,19H,3,5,12,15-16H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyJXWYFCGYXGVDBU-IBGZPJMESA-N
MW407.54 g/mol
LogP4.67
Rot. Bonds6

About (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 25482833) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID25482833
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4nccs4)C3)cc2)c1
InChIInChI=1S/C23H25N3O2S/c1-28-21-6-2-4-18(14-21)17-7-9-20(10-8-17)25-23(27)19-5-3-12-26(15-19)16-22-24-11-13-29-22/h2,4,6-11,13-14,19H,3,5,12,15-16H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyJXWYFCGYXGVDBU-IBGZPJMESA-N
XLogP4.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 26871829
(3S)-1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 42213030
1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 24792091
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24794194
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 44761442
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
CID 25379326
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 26397760
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (CID 25482833) is (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4nccs4)C3)cc2)c1.
What is the InChIKey of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JXWYFCGYXGVDBU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-28-21-6-2-4-18(14-21)17-7-9-20(10-8-17)25-23(27)19-5-3-12-26(15-19)16-22-24-11-13-29-22/h2,4,6-11,13-14,19H,3,5,12,15-16H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 25482833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).