(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

C19H27N3O2 — CID 120624438

IUPAC(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCN1
InChIInChI=1S/C19H27N3O2/c1-14-12-15(8-9-20-14)18(23)21-17-7-5-6-16(13-17)19(24)22-10-3-2-4-11-22/h5-7,13-15,20H,2-4,8-12H2,1H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyWBOHMTDBAUEKDX-GJZGRUSLSA-N
MW329.44 g/mol
LogP2.64
Rot. Bonds3

About (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 120624438) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID120624438
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCN1
InChIInChI=1S/C19H27N3O2/c1-14-12-15(8-9-20-14)18(23)21-17-7-5-6-16(13-17)19(24)22-10-3-2-4-11-22/h5-7,13-15,20H,2-4,8-12H2,1H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyWBOHMTDBAUEKDX-GJZGRUSLSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120624437
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964103
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
(1S,6R)-6-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1080168
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120570628

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide (CID 120624438) is (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is WBOHMTDBAUEKDX-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-12-15(8-9-20-14)18(23)21-17-7-5-6-16(13-17)19(24)22-10-3-2-4-11-22/h5-7,13-15,20H,2-4,8-12H2,1H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120624438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).