(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C21H31N3O2 — CID 92999274

IUPAC(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCc1cccc([C@H]2C[C@@H](C(=O)NCC3CC3)CN(C(=O)NC(C)C)C2)c1
InChIInChI=1S/C21H31N3O2/c1-14(2)23-21(26)24-12-18(17-6-4-5-15(3)9-17)10-19(13-24)20(25)22-11-16-7-8-16/h4-6,9,14,16,18-19H,7-8,10-13H2,1-3H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1
InChIKeyNDXAFHZFKBNLET-RBUKOAKNSA-N
MW357.50 g/mol
LogP3.04
Rot. Bonds5

About (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 92999274) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID92999274
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCc1cccc([C@H]2C[C@@H](C(=O)NCC3CC3)CN(C(=O)NC(C)C)C2)c1
InChIInChI=1S/C21H31N3O2/c1-14(2)23-21(26)24-12-18(17-6-4-5-15(3)9-17)10-19(13-24)20(25)22-11-16-7-8-16/h4-6,9,14,16,18-19H,7-8,10-13H2,1-3H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1
InChIKeyNDXAFHZFKBNLET-RBUKOAKNSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999273
3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 46069425
(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996947
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46065416
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42865264
(3S,5S)-5-(4-fluoro-3-methylphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996949
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 92999274) is (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is Cc1cccc([C@H]2C[C@@H](C(=O)NCC3CC3)CN(C(=O)NC(C)C)C2)c1.
What is the InChIKey of (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is NDXAFHZFKBNLET-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14(2)23-21(26)24-12-18(17-6-4-5-15(3)9-17)10-19(13-24)20(25)22-11-16-7-8-16/h4-6,9,14,16,18-19H,7-8,10-13H2,1-3H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1.
What are the key properties of (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 92999274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).