N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide

C22H27ClN4O2 — CID 118731654

IUPACN-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1Cl)c1ccc[nH]1
InChIInChI=1S/C22H27ClN4O2/c23-18-15-16(6-7-19(18)25-21(28)20-5-4-10-24-20)22(29)27-13-8-17(9-14-27)26-11-2-1-3-12-26/h4-7,10,15,17,24H,1-3,8-9,11-14H2,(H,25,28)
InChIKeyRIPUMCSSFQGIRQ-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.01
Rot. Bonds4

About N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide

N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 118731654) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID118731654
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1Cl)c1ccc[nH]1
InChIInChI=1S/C22H27ClN4O2/c23-18-15-16(6-7-19(18)25-21(28)20-5-4-10-24-20)22(29)27-13-8-17(9-14-27)26-11-2-1-3-12-26/h4-7,10,15,17,24H,1-3,8-9,11-14H2,(H,25,28)
InChIKeyRIPUMCSSFQGIRQ-UHFFFAOYSA-N
XLogP4.01
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide (CID 118731654) is N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1Cl)c1ccc[nH]1.
What is the InChIKey of N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RIPUMCSSFQGIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c23-18-15-16(6-7-19(18)25-21(28)20-5-4-10-24-20)22(29)27-13-8-17(9-14-27)26-11-2-1-3-12-26/h4-7,10,15,17,24H,1-3,8-9,11-14H2,(H,25,28).
What are the key properties of N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide?
N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118731654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).