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

C23H34N4O2 — CID 56880535

IUPACN-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(N2CCCC(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)
InChIKeySOMQMJLDTAZHAE-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.33
Rot. Bonds3

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

N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide (PubChem CID 56880535) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
PubChem CID56880535
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(N2CCCC(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)
InChIKeySOMQMJLDTAZHAE-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide (CID 56880535) is N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The InChIKey is SOMQMJLDTAZHAE-UHFFFAOYSA-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).
What are the key properties of N-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
N-(2-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-(2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 56880535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).