N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C18H19ClN2O3 — CID 6464004

IUPACN-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClN2O3/c19-15-5-2-1-4-14(15)12-20-17(22)13-7-9-21(10-8-13)18(23)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2,(H,20,22)
InChIKeyVYPJFYZTSOLBPA-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.10
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 6464004) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID6464004
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClN2O3/c19-15-5-2-1-4-14(15)12-20-17(22)13-7-9-21(10-8-13)18(23)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2,(H,20,22)
InChIKeyVYPJFYZTSOLBPA-UHFFFAOYSA-N
XLogP3.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylfuran-2-carboxamide
CID 347531
1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
N-{(1Z)-1-(4-chlorophenyl)-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-2-yl}furan-2-carboxamide
CID 1367315
N-[2-(4-chlorophenoxy)ethyl]furan-2-carboxamide
CID 2302650
N-{1-[benzyl(methyl)amino]-2,2,2-trichloroethyl}furan-2-carboxamide
CID 3114587
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2335760
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 888361
5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 944598
N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 2206515
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 2430380

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 6464004) is N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is VYPJFYZTSOLBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-15-5-2-1-4-14(15)12-20-17(22)13-7-9-21(10-8-13)18(23)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 6464004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).