4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide

C13H20ClN3O — CID 47387088

IUPAC4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)CC1
InChIInChI=1S/C13H20ClN3O/c1-2-17-5-3-10(4-6-17)8-16-13(18)12-7-11(14)9-15-12/h7,9-10,15H,2-6,8H2,1H3,(H,16,18)
InChIKeyFWTHSBGALRWMRP-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.13
Rot. Bonds4

About 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 47387088) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID47387088
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)CC1
InChIInChI=1S/C13H20ClN3O/c1-2-17-5-3-10(4-6-17)8-16-13(18)12-7-11(14)9-15-12/h7,9-10,15H,2-6,8H2,1H3,(H,16,18)
InChIKeyFWTHSBGALRWMRP-UHFFFAOYSA-N
XLogP2.13
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Lazabemide
CID 71307
Lazabemide Hydrochloride
CID 163727
4-Chloro-N-methylpicolinamide
CID 1476814
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
3-Chloranyl-4-Pyridin-4-Yl-1h-Pyrrole-2-Carboxamide
CID 81689726
6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
4-Chloro-N,N-diethylpyridine-2-carboxamide
CID 2531799
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-methyl-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110289
N-methyl-N-(4-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 16110291
N-methyl-N-(1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110296

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide (CID 47387088) is 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide is CCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)CC1.
What is the InChIKey of 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FWTHSBGALRWMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-17-5-3-10(4-6-17)8-16-13(18)12-7-11(14)9-15-12/h7,9-10,15H,2-6,8H2,1H3,(H,16,18).
What are the key properties of 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47387088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).