N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide

C23H34N4O2 — CID 95561000

IUPACN-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C23H34N4O2/c1-18-7-2-3-9-21(18)24-23(29)26-15-10-20(11-16-26)27-14-6-8-19(17-27)22(28)25-12-4-5-13-25/h2-3,7,9,19-20H,4-6,8,10-17H2,1H3,(H,24,29)/t19-/m0/s1
InChIKeySOMQMJLDTAZHAE-IBGZPJMESA-N
MW398.55 g/mol
LogP3.33
Rot. Bonds3

About N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide

N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide (PubChem CID 95561000) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
PubChem CID95561000
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C23H34N4O2/c1-18-7-2-3-9-21(18)24-23(29)26-15-10-20(11-16-26)27-14-6-8-19(17-27)22(28)25-12-4-5-13-25/h2-3,7,9,19-20H,4-6,8,10-17H2,1H3,(H,24,29)/t19-/m0/s1
InChIKeySOMQMJLDTAZHAE-IBGZPJMESA-N
XLogP3.33
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92901094
(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 95298396

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide (CID 95561000) is N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The InChIKey is SOMQMJLDTAZHAE-IBGZPJMESA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18-7-2-3-9-21(18)24-23(29)26-15-10-20(11-16-26)27-14-6-8-19(17-27)22(28)25-12-4-5-13-25/h2-3,7,9,19-20H,4-6,8,10-17H2,1H3,(H,24,29)/t19-/m0/s1.
What are the key properties of N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95561000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).