[4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone

C17H19ClN2O2 — CID 119070273

IUPAC[4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cl)cc1-c1c[nH]c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-6-5-13(18)10-14(16)12-9-15(19-11-12)17(21)20-7-3-2-4-8-20/h5-6,9-11,19H,2-4,7-8H2,1H3
InChIKeyMTIZNMVLXIREEG-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.97
Rot. Bonds3

About [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone

[4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone (PubChem CID 119070273) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
PubChem CID119070273
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name[4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cl)cc1-c1c[nH]c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-6-5-13(18)10-14(16)12-9-15(19-11-12)17(21)20-7-3-2-4-8-20/h5-6,9-11,19H,2-4,7-8H2,1H3
InChIKeyMTIZNMVLXIREEG-UHFFFAOYSA-N
XLogP3.97
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-butoxy-5-methylphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
CID 121499766
[3-(5-chloro-2-methoxyphenyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118774871
[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
CID 119060897
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 30102559
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
CID 125169662
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
CID 72846429
[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
CID 121498462
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone (CID 119070273) is [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone is COc1ccc(Cl)cc1-c1c[nH]c(C(=O)N2CCCCC2)c1.
What is the InChIKey of [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is MTIZNMVLXIREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-22-16-6-5-13(18)10-14(16)12-9-15(19-11-12)17(21)20-7-3-2-4-8-20/h5-6,9-11,19H,2-4,7-8H2,1H3.
What are the key properties of [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone?
[4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 318.80 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 119070273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).