N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide

C13H25N3O — CID 63123013

IUPACN-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCC(N)CC2)CCNCC1
InChIInChI=1S/C13H25N3O/c1-13(6-8-15-9-7-13)12(17)16-11-4-2-10(14)3-5-11/h10-11,15H,2-9,14H2,1H3,(H,16,17)
InChIKeySPBKRWLLZXEFPX-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.76
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide

N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide (PubChem CID 63123013) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
PubChem CID63123013
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCC(N)CC2)CCNCC1
InChIInChI=1S/C13H25N3O/c1-13(6-8-15-9-7-13)12(17)16-11-4-2-10(14)3-5-11/h10-11,15H,2-9,14H2,1H3,(H,16,17)
InChIKeySPBKRWLLZXEFPX-UHFFFAOYSA-N
XLogP0.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide (CID 63123013) is N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)NC2CCC(N)CC2)CCNCC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is SPBKRWLLZXEFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(6-8-15-9-7-13)12(17)16-11-4-2-10(14)3-5-11/h10-11,15H,2-9,14H2,1H3,(H,16,17).
What are the key properties of N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide?
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63123013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).