N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C29H27N3O4 — CID 55613801

IUPACN-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1)c1ccco1
InChIInChI=1S/C29H27N3O4/c33-27(30-19-20-6-3-9-23(18-20)31-28(34)26-12-5-17-36-26)22-13-15-32(16-14-22)29(35)25-11-4-8-21-7-1-2-10-24(21)25/h1-12,17-18,22H,13-16,19H2,(H,30,33)(H,31,34)
InChIKeyUKEWPDWDDODACO-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.85
Rot. Bonds6

About N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55613801) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55613801
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC NameN-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1)c1ccco1
InChIInChI=1S/C29H27N3O4/c33-27(30-19-20-6-3-9-23(18-20)31-28(34)26-12-5-17-36-26)22-13-15-32(16-14-22)29(35)25-11-4-8-21-7-1-2-10-24(21)25/h1-12,17-18,22H,13-16,19H2,(H,30,33)(H,31,34)
InChIKeyUKEWPDWDDODACO-UHFFFAOYSA-N
XLogP4.85
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-carbonylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 33191164
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 55610513
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55898961
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35668689
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55613801) is N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1)c1ccco1.
What is the InChIKey of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is UKEWPDWDDODACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4/c33-27(30-19-20-6-3-9-23(18-20)31-28(34)26-12-5-17-36-26)22-13-15-32(16-14-22)29(35)25-11-4-8-21-7-1-2-10-24(21)25/h1-12,17-18,22H,13-16,19H2,(H,30,33)(H,31,34).
What are the key properties of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55613801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).