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

C23H34N4O2 — CID 56877722

IUPACN-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)c1
InChIInChI=1S/C23H34N4O2/c1-18-6-4-8-20(16-18)24-23(29)26-14-9-21(10-15-26)27-13-5-7-19(17-27)22(28)25-11-2-3-12-25/h4,6,8,16,19,21H,2-3,5,7,9-15,17H2,1H3,(H,24,29)
InChIKeyOVLSBRJWQRCXDX-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.33
Rot. Bonds3

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

N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide (PubChem CID 56877722) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
PubChem CID56877722
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)c1
InChIInChI=1S/C23H34N4O2/c1-18-6-4-8-20(16-18)24-23(29)26-14-9-21(10-15-26)27-13-5-7-19(17-27)22(28)25-11-2-3-12-25/h4,6,8,16,19,21H,2-3,5,7,9-15,17H2,1H3,(H,24,29)
InChIKeyOVLSBRJWQRCXDX-UHFFFAOYSA-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

1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 49061663
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 119410579
N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 95561000
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 86951405
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 84927779

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide (CID 56877722) is N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The InChIKey is OVLSBRJWQRCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18-6-4-8-20(16-18)24-23(29)26-14-9-21(10-15-26)27-13-5-7-19(17-27)22(28)25-11-2-3-12-25/h4,6,8,16,19,21H,2-3,5,7,9-15,17H2,1H3,(H,24,29).
What are the key properties of N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
N-(3-methylphenyl)-4-[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-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 56877722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).