2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide

C18H35N2O+ — CID 58599059

IUPAC2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide
SMILESC[N+]1(CCCCNC(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C18H34N2O/c1-20(13-7-3-8-14-20)15-9-6-12-19-18(21)16-17-10-4-2-5-11-17/h17H,2-16H2,1H3/p+1
InChIKeySXOHOUZEQUOSCU-UHFFFAOYSA-O
MW295.49 g/mol
LogP3.48
Rot. Bonds7

About 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide

2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide (PubChem CID 58599059) has the molecular formula C18H35N2O+ and a molecular weight of 295.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide
PubChem CID58599059
Molecular FormulaC18H35N2O+
Molecular Weight295.49 g/mol
Exact Mass295.27
IUPAC Name2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide
SMILESC[N+]1(CCCCNC(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C18H34N2O/c1-20(13-7-3-8-14-20)15-9-6-12-19-18(21)16-17-10-4-2-5-11-17/h17H,2-16H2,1H3/p+1
InChIKeySXOHOUZEQUOSCU-UHFFFAOYSA-O
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 3547359
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CID 103709024
N-(3-aminopropyl)-2-cyclopentylacetamide
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(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
2-cyclopropyl-N-pentylacetamide
CID 66755217
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
N-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
CID 108924398

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide (CID 58599059) is 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide is C[N+]1(CCCCNC(=O)CC2CCCCC2)CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide?
The InChIKey is SXOHOUZEQUOSCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H34N2O/c1-20(13-7-3-8-14-20)15-9-6-12-19-18(21)16-17-10-4-2-5-11-17/h17H,2-16H2,1H3/p+1.
What are the key properties of 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide?
2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide has a molecular weight of 295.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide is sourced from PubChem (CID 58599059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).