4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide

C16H31N3O — CID 82163276

IUPAC4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCN2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-2-3-4-14-5-7-15(8-6-14)16(20)18-13-19-11-9-17-10-12-19/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyCMZUQCGNIDPZPP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.96
Rot. Bonds6

About 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide

4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 82163276) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide
PubChem CID82163276
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCN2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-2-3-4-14-5-7-15(8-6-14)16(20)18-13-19-11-9-17-10-12-19/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyCMZUQCGNIDPZPP-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
CID 81429367

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide (CID 82163276) is 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCN2CCNCC2)CC1.
What is the InChIKey of 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is CMZUQCGNIDPZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-3-4-14-5-7-15(8-6-14)16(20)18-13-19-11-9-17-10-12-19/h14-15,17H,2-13H2,1H3,(H,18,20).
What are the key properties of 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide?
4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82163276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).