(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide

C23H36N4O2 — CID 27806673

IUPAC(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C23H36N4O2/c1-15-8-16(2)12-26(11-15)22(28)24-20-7-6-19(5)21(10-20)25-23(29)27-13-17(3)9-18(4)14-27/h6-7,10,15-18H,8-9,11-14H2,1-5H3,(H,24,28)(H,25,29)/t15-,16+,17-,18+
InChIKeyHJHLKHVJUPOYPS-USTZCAOPSA-N
MW400.57 g/mol
LogP5.01
Rot. Bonds2

About (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide

(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 27806673) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID27806673
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C23H36N4O2/c1-15-8-16(2)12-26(11-15)22(28)24-20-7-6-19(5)21(10-20)25-23(29)27-13-17(3)9-18(4)14-27/h6-7,10,15-18H,8-9,11-14H2,1-5H3,(H,24,28)(H,25,29)/t15-,16+,17-,18+
InChIKeyHJHLKHVJUPOYPS-USTZCAOPSA-N
XLogP5.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94183755
(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94176614
(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 51945173
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731340
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide (CID 27806673) is (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide is Cc1ccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)N1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is HJHLKHVJUPOYPS-USTZCAOPSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-15-8-16(2)12-26(11-15)22(28)24-20-7-6-19(5)21(10-20)25-23(29)27-13-17(3)9-18(4)14-27/h6-7,10,15-18H,8-9,11-14H2,1-5H3,(H,24,28)(H,25,29)/t15-,16+,17-,18+.
What are the key properties of (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide?
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 27806673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).