N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide

C14H24N2O2 — CID 141160513

IUPACN-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCN(C=O)CC2)CC1
InChIInChI=1S/C14H24N2O2/c1-11-2-4-12(5-3-11)14(18)15-13-6-8-16(10-17)9-7-13/h10-13H,2-9H2,1H3,(H,15,18)
InChIKeyWUHAJGWOMTYKAU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds3

About N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide

N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 141160513) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID141160513
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCN(C=O)CC2)CC1
InChIInChI=1S/C14H24N2O2/c1-11-2-4-12(5-3-11)14(18)15-13-6-8-16(10-17)9-7-13/h10-13H,2-9H2,1H3,(H,15,18)
InChIKeyWUHAJGWOMTYKAU-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-formylpiperidin-4-yl)cyclopropanecarboxamide
CID 64992853
N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
CID 145062512
(1-formylpiperidin-4-yl)carbamic acid
CID 23075371
N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146089
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516
4-(cyclohexanecarbonylamino)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 86862881
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
4-methyl-N-piperidin-3-ylcyclohexane-1-carboxamide
CID 81470564
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513

Frequently Asked Questions

What is the IUPAC name of N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide (CID 141160513) is N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CCN(C=O)CC2)CC1.
What is the InChIKey of N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is WUHAJGWOMTYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-2-4-12(5-3-11)14(18)15-13-6-8-16(10-17)9-7-13/h10-13H,2-9H2,1H3,(H,15,18).
What are the key properties of N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide?
N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 141160513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).