N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide

C21H24N2O2 — CID 154832559

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)N(C)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H24N2O2/c1-3-20(24)23-12-10-18(11-13-23)21(25)22(2)15-16-8-9-17-6-4-5-7-19(17)14-16/h3-9,14,18H,1,10-13,15H2,2H3
InChIKeyCSHSNAQCNIZFMX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide

N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 154832559) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID154832559
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)N(C)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H24N2O2/c1-3-20(24)23-12-10-18(11-13-23)21(25)22(2)15-16-8-9-17-6-4-5-7-19(17)14-16/h3-9,14,18H,1,10-13,15H2,2H3
InChIKeyCSHSNAQCNIZFMX-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 27848341
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112
N-methyl-N-(naphthalen-2-ylmethyl)prop-2-enamide
CID 54874632
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 24641378
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
N,N-dimethyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 60948651
N-methyl-1-prop-2-enoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide
CID 166411092
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 66571403

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide (CID 154832559) is N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)N(C)Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is CSHSNAQCNIZFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-20(24)23-12-10-18(11-13-23)21(25)22(2)15-16-8-9-17-6-4-5-7-19(17)14-16/h3-9,14,18H,1,10-13,15H2,2H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 154832559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).