N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide

C18H24ClN3O2 — CID 75218553

IUPACN-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2CCCN2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13(23)21-11-8-15(9-12-21)20-18(24)17-3-2-10-22(17)16-6-4-14(19)5-7-16/h4-7,15,17H,2-3,8-12H2,1H3,(H,20,24)
InChIKeyKRIWGALEWVUIRQ-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.44
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide

N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 75218553) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
PubChem CID75218553
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2CCCN2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13(23)21-11-8-15(9-12-21)20-18(24)17-3-2-10-22(17)16-6-4-14(19)5-7-16/h4-7,15,17H,2-3,8-12H2,1H3,(H,20,24)
InChIKeyKRIWGALEWVUIRQ-UHFFFAOYSA-N
XLogP2.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (CID 75218553) is N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is CC(=O)N1CCC(NC(=O)C2CCCN2c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is KRIWGALEWVUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13(23)21-11-8-15(9-12-21)20-18(24)17-3-2-10-22(17)16-6-4-14(19)5-7-16/h4-7,15,17H,2-3,8-12H2,1H3,(H,20,24).
What are the key properties of N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75218553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).