4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide

C21H27N3O2 — CID 46478370

IUPAC4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2ccccc2CN2CCCCC2C)c1
InChIInChI=1S/C21H27N3O2/c1-15-7-5-6-10-24(15)14-18-9-4-3-8-17(18)12-23-21(26)20-11-19(13-22-20)16(2)25/h3-4,8-9,11,13,15,22H,5-7,10,12,14H2,1-2H3,(H,23,26)
InChIKeyZIVOJSUJWONUDM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.52
Rot. Bonds6

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

4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 46478370) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID46478370
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2ccccc2CN2CCCCC2C)c1
InChIInChI=1S/C21H27N3O2/c1-15-7-5-6-10-24(15)14-18-9-4-3-8-17(18)12-23-21(26)20-11-19(13-22-20)16(2)25/h3-4,8-9,11,13,15,22H,5-7,10,12,14H2,1-2H3,(H,23,26)
InChIKeyZIVOJSUJWONUDM-UHFFFAOYSA-N
XLogP3.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070
methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
CID 78875789
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
6-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46470705
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877885
(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092356
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 46478370) is 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCc2ccccc2CN2CCCCC2C)c1.
What is the InChIKey of 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZIVOJSUJWONUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-7-5-6-10-24(15)14-18-9-4-3-8-17(18)12-23-21(26)20-11-19(13-22-20)16(2)25/h3-4,8-9,11,13,15,22H,5-7,10,12,14H2,1-2H3,(H,23,26).
What are the key properties of 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46478370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).