N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide

C19H21ClN2O3 — CID 108550086

IUPACN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1ccco1
InChIInChI=1S/C19H21ClN2O3/c20-15-6-3-14(4-7-15)5-8-18(23)22-11-9-16(10-12-22)21-19(24)17-2-1-13-25-17/h1-4,6-7,13,16H,5,8-12H2,(H,21,24)
InChIKeySQZWVOBPUDNWLP-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.29
Rot. Bonds5

About N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide

N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 108550086) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID108550086
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1ccco1
InChIInChI=1S/C19H21ClN2O3/c20-15-6-3-14(4-7-15)5-8-18(23)22-11-9-16(10-12-22)21-19(24)17-2-1-13-25-17/h1-4,6-7,13,16H,5,8-12H2,(H,21,24)
InChIKeySQZWVOBPUDNWLP-UHFFFAOYSA-N
XLogP3.29
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558340
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550045
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554273
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108566500
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
2-(4-chlorophenoxy)-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetamide
CID 108554355
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 39510053
N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550065

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide (CID 108550086) is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide is O=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1ccco1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is SQZWVOBPUDNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-15-6-3-14(4-7-15)5-8-18(23)22-11-9-16(10-12-22)21-19(24)17-2-1-13-25-17/h1-4,6-7,13,16H,5,8-12H2,(H,21,24).
What are the key properties of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide?
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108550086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).