N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide

C20H23ClN2O3 — CID 46588687

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C20H23ClN2O3/c1-14(15-5-7-18(21)8-6-15)22(2)19(24)16-4-3-10-23(12-16)20(25)17-9-11-26-13-17/h5-9,11,13-14,16H,3-4,10,12H2,1-2H3
InChIKeyASHONMHSQLILFG-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.00
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide (PubChem CID 46588687) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide
PubChem CID46588687
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C20H23ClN2O3/c1-14(15-5-7-18(21)8-6-15)22(2)19(24)16-4-3-10-23(12-16)20(25)17-9-11-26-13-17/h5-9,11,13-14,16H,3-4,10,12H2,1-2H3
InChIKeyASHONMHSQLILFG-UHFFFAOYSA-N
XLogP4.00
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 30839694
N-ethyl-1-(furan-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43054894
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 51870501
1-(furan-3-carbonyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43056974
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43059958
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198394
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide (CID 46588687) is N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is ASHONMHSQLILFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(15-5-7-18(21)8-6-15)22(2)19(24)16-4-3-10-23(12-16)20(25)17-9-11-26-13-17/h5-9,11,13-14,16H,3-4,10,12H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46588687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).