N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide

C15H22N2O2 — CID 144649811

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide
SMILESCC1NCCCC1C(=O)N(C=O)CC1=CCCC=C1
InChIInChI=1S/C15H22N2O2/c1-12-14(8-5-9-16-12)15(19)17(11-18)10-13-6-3-2-4-7-13/h3,6-7,11-12,14,16H,2,4-5,8-10H2,1H3
InChIKeyMSUUOBNSLUFUDU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.64
Rot. Bonds4

About N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide

N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide (PubChem CID 144649811) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide
PubChem CID144649811
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide
SMILESCC1NCCCC1C(=O)N(C=O)CC1=CCCC=C1
InChIInChI=1S/C15H22N2O2/c1-12-14(8-5-9-16-12)15(19)17(11-18)10-13-6-3-2-4-7-13/h3,6-7,11-12,14,16H,2,4-5,8-10H2,1H3
InChIKeyMSUUOBNSLUFUDU-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N-ethyl-N,2-dimethylpiperidine-3-carboxamide;hydrochloride
CID 130610203
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949608
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylpiperidine-3-carboxamide
CID 105418341
N-hydroxy-2-methylpiperidine-3-carboxamide
CID 130757003
[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 97050947
5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene
CID 163985735
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide
CID 142459410
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949616
N,N-dibenzyl-3-methylpiperidine-2-carboxamide
CID 130158118
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 81115944
4-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]benzoic acid
CID 169146694
(2R,3R)-N-(2-hydroxyethyl)-2-methylpiperidine-3-carboxamide
CID 130891391

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide (CID 144649811) is N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide is CC1NCCCC1C(=O)N(C=O)CC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide?
The InChIKey is MSUUOBNSLUFUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-14(8-5-9-16-12)15(19)17(11-18)10-13-6-3-2-4-7-13/h3,6-7,11-12,14,16H,2,4-5,8-10H2,1H3.
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide?
N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-formyl-2-methylpiperidine-3-carboxamide is sourced from PubChem (CID 144649811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).