4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

C22H29N3O2 — CID 17402412

IUPAC4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1C
InChIInChI=1S/C22H29N3O2/c1-15-20(17(3)26)16(2)24-21(15)22(27)23-13-18-7-9-19(10-8-18)14-25-11-5-4-6-12-25/h7-10,24H,4-6,11-14H2,1-3H3,(H,23,27)
InChIKeyFAIGRXYRBBDSHC-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.75
Rot. Bonds6

About 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 17402412) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID17402412
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1C
InChIInChI=1S/C22H29N3O2/c1-15-20(17(3)26)16(2)24-21(15)22(27)23-13-18-7-9-19(10-8-18)14-25-11-5-4-6-12-25/h7-10,24H,4-6,11-14H2,1-3H3,(H,23,27)
InChIKeyFAIGRXYRBBDSHC-UHFFFAOYSA-N
XLogP3.75
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,4-dimethyl-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 17409445
2,4,5-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 38710650
5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 8546646
ethyl 3,5-dimethyl-4-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-2-carboxylate
CID 18168226
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-acetyl-3,5-dimethyl-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 51949843
5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246100
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 9389603
1-[5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 17396714
4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 47047969
2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 26447126

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 17402412) is 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FAIGRXYRBBDSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-20(17(3)26)16(2)24-21(15)22(27)23-13-18-7-9-19(10-8-18)14-25-11-5-4-6-12-25/h7-10,24H,4-6,11-14H2,1-3H3,(H,23,27).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 17402412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).