4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide

C19H22ClN3O3 — CID 51129338

IUPAC4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(NC(=O)c3cc(Cl)c[nH]3)CC2)c1
InChIInChI=1S/C19H22ClN3O3/c1-26-16-4-2-3-13(9-16)10-18(24)23-7-5-15(6-8-23)22-19(25)17-11-14(20)12-21-17/h2-4,9,11-12,15,21H,5-8,10H2,1H3,(H,22,25)
InChIKeyFHFVBIDCCFHCLM-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.64
Rot. Bonds5

About 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide

4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 51129338) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID51129338
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(NC(=O)c3cc(Cl)c[nH]3)CC2)c1
InChIInChI=1S/C19H22ClN3O3/c1-26-16-4-2-3-13(9-16)10-18(24)23-7-5-15(6-8-23)22-19(25)17-11-14(20)12-21-17/h2-4,9,11-12,15,21H,5-8,10H2,1H3,(H,22,25)
InChIKeyFHFVBIDCCFHCLM-UHFFFAOYSA-N
XLogP2.64
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 18104585
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 83284560

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 51129338) is 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide is COc1cccc(CC(=O)N2CCC(NC(=O)c3cc(Cl)c[nH]3)CC2)c1.
What is the InChIKey of 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is FHFVBIDCCFHCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-26-16-4-2-3-13(9-16)10-18(24)23-7-5-15(6-8-23)22-19(25)17-11-14(20)12-21-17/h2-4,9,11-12,15,21H,5-8,10H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51129338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).