4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide

C18H23N3O — CID 122144511

IUPAC4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NCC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c1-14-11-19-13-17(14)18(22)20-12-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11,13,15,19H,7-10,12H2,1H3,(H,20,22)
InChIKeyRJTLFTTWBOIZLJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.97
Rot. Bonds4

About 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide

4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 122144511) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID122144511
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NCC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c1-14-11-19-13-17(14)18(22)20-12-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11,13,15,19H,7-10,12H2,1H3,(H,20,22)
InChIKeyRJTLFTTWBOIZLJ-UHFFFAOYSA-N
XLogP2.97
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
N-[(1-phenylpiperidin-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70788463
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
CID 136520105
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38442154
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide (CID 122144511) is 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide is Cc1c[nH]cc1C(=O)NCC1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is RJTLFTTWBOIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-11-19-13-17(14)18(22)20-12-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11,13,15,19H,7-10,12H2,1H3,(H,20,22).
What are the key properties of 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 122144511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).