4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide

C22H31N5O — CID 70990978

IUPAC4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide
SMILESCc1c[nH]c(C(=O)Nc2ccc(N3CCNCC3)cc2N2CCC(C)CC2)c1
InChIInChI=1S/C22H31N5O/c1-16-5-9-27(10-6-16)21-14-18(26-11-7-23-8-12-26)3-4-19(21)25-22(28)20-13-17(2)15-24-20/h3-4,13-16,23-24H,5-12H2,1-2H3,(H,25,28)
InChIKeyRPRVIQXXASFKNU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.22
Rot. Bonds4

About 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide

4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide (PubChem CID 70990978) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide
PubChem CID70990978
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide
SMILESCc1c[nH]c(C(=O)Nc2ccc(N3CCNCC3)cc2N2CCC(C)CC2)c1
InChIInChI=1S/C22H31N5O/c1-16-5-9-27(10-6-16)21-14-18(26-11-7-23-8-12-26)3-4-19(21)25-22(28)20-13-17(2)15-24-20/h3-4,13-16,23-24H,5-12H2,1-2H3,(H,25,28)
InChIKeyRPRVIQXXASFKNU-UHFFFAOYSA-N
XLogP3.22
TPSA63.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]furan-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 11714689
2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
CID 50782697
(4-cyano-1H-pyrrol-2-yl) N-[4-(4-acetylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]carbamate
CID 68859060
4-cyano-N-[2-(4-methylpiperidin-1-yl)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-1H-pyrrole-2-carboxamide
CID 11648537
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]-3H-pyrrole-2-carboxamide
CID 24883278
N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110691023
4-bromo-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
CID 55620636
5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
CID 143413657
3-methyl-N-(2-methyl-4-piperazin-1-ylphenyl)-4-piperazin-1-ylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769618
N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
CID 50881063
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide (CID 70990978) is 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide is Cc1c[nH]c(C(=O)Nc2ccc(N3CCNCC3)cc2N2CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RPRVIQXXASFKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-16-5-9-27(10-6-16)21-14-18(26-11-7-23-8-12-26)3-4-19(21)25-22(28)20-13-17(2)15-24-20/h3-4,13-16,23-24H,5-12H2,1-2H3,(H,25,28).
What are the key properties of 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide?
4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 70990978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).