4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide

C18H22ClN3O — CID 126448553

IUPAC4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C18H22ClN3O/c19-15-11-16(20-12-15)18(23)21-13-17(14-7-3-1-4-8-14)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,17,20H,2,5-6,9-10,13H2,(H,21,23)/t17-/m1/s1
InChIKeyOYYREDQDFJWEBU-QGZVFWFLSA-N
MW331.85 g/mol
LogP3.63
Rot. Bonds5

About 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 126448553) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
PubChem CID126448553
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C18H22ClN3O/c19-15-11-16(20-12-15)18(23)21-13-17(14-7-3-1-4-8-14)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,17,20H,2,5-6,9-10,13H2,(H,21,23)/t17-/m1/s1
InChIKeyOYYREDQDFJWEBU-QGZVFWFLSA-N
XLogP3.63
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
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N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
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5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
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3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
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2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
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4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 97220649
4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 24544227
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide (CID 126448553) is 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide is O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OYYREDQDFJWEBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22ClN3O/c19-15-11-16(20-12-15)18(23)21-13-17(14-7-3-1-4-8-14)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,17,20H,2,5-6,9-10,13H2,(H,21,23)/t17-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126448553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).