N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide

C18H22N3O2+ — CID 3545962

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
SMILESC[NH+]1CCCCC1C(=O)NN=Cc1c(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)/p+1
InChIKeyFWJVMJSGFFYJCQ-UHFFFAOYSA-O
MW312.39 g/mol
LogP1.06
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide (PubChem CID 3545962) has the molecular formula C18H22N3O2+ and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
PubChem CID3545962
Molecular FormulaC18H22N3O2+
Molecular Weight312.39 g/mol
Exact Mass312.17
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
SMILESC[NH+]1CCCCC1C(=O)NN=Cc1c(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)/p+1
InChIKeyFWJVMJSGFFYJCQ-UHFFFAOYSA-O
XLogP1.06
TPSA66.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
CID 135716858
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 136900702
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-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 3537553
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3095682
(1R)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135827743
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide (CID 3545962) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide is C[NH+]1CCCCC1C(=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide?
The InChIKey is FWJVMJSGFFYJCQ-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide is sourced from PubChem (CID 3545962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).