(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide

C18H21N3O2 — CID 136900702

IUPAC(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCC[C@@H]1C(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C18H21N3O2/c1-21-11-5-4-8-16(21)18(23)20-19-12-15-14-7-3-2-6-13(14)9-10-17(15)22/h2-3,6-7,9-10,12,16,22H,4-5,8,11H2,1H3,(H,20,23)/b19-12-/t16-/m1/s1
InChIKeyFWJVMJSGFFYJCQ-BKAYVGFPSA-N
MW311.38 g/mol
LogP2.48
Rot. Bonds3

About (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide

(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide (PubChem CID 136900702) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
PubChem CID136900702
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCC[C@@H]1C(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C18H21N3O2/c1-21-11-5-4-8-16(21)18(23)20-19-12-15-14-7-3-2-6-13(14)9-10-17(15)22/h2-3,6-7,9-10,12,16,22H,4-5,8,11H2,1H3,(H,20,23)/b19-12-/t16-/m1/s1
InChIKeyFWJVMJSGFFYJCQ-BKAYVGFPSA-N
XLogP2.48
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-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-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
CID 3545962
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
CID 135716858
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2218036
(2S)-1,4-bis(benzenesulfonyl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]piperazine-2-carboxamide
CID 137107721
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 136863496
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide (CID 136900702) is (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide is CN1CCCC[C@@H]1C(=O)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide?
The InChIKey is FWJVMJSGFFYJCQ-BKAYVGFPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21-11-5-4-8-16(21)18(23)20-19-12-15-14-7-3-2-6-13(14)9-10-17(15)22/h2-3,6-7,9-10,12,16,22H,4-5,8,11H2,1H3,(H,20,23)/b19-12-/t16-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide?
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 136900702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).