N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide

C18H19ClN2O4 — CID 35505478

IUPACN-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-24-16-3-2-14(10-15(16)19)20-17(22)12-4-7-21(8-5-12)18(23)13-6-9-25-11-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,20,22)
InChIKeyXUGVLWCACXFLRW-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.43
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 35505478) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID35505478
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-24-16-3-2-14(10-15(16)19)20-17(22)12-4-7-21(8-5-12)18(23)13-6-9-25-11-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,20,22)
InChIKeyXUGVLWCACXFLRW-UHFFFAOYSA-N
XLogP3.43
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048458
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 35505478) is N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is XUGVLWCACXFLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-16-3-2-14(10-15(16)19)20-17(22)12-4-7-21(8-5-12)18(23)13-6-9-25-11-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 35505478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).