2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide

C17H32N2O — CID 120553439

IUPAC2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide
SMILESCCC(CC1CCCCC1)C(=O)NC1CCNCC1C
InChIInChI=1S/C17H32N2O/c1-3-15(11-14-7-5-4-6-8-14)17(20)19-16-9-10-18-12-13(16)2/h13-16,18H,3-12H2,1-2H3,(H,19,20)
InChIKeyZNHQAOBNFJUEAX-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.10
Rot. Bonds5

About 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide

2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide (PubChem CID 120553439) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide
PubChem CID120553439
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide
SMILESCCC(CC1CCCCC1)C(=O)NC1CCNCC1C
InChIInChI=1S/C17H32N2O/c1-3-15(11-14-7-5-4-6-8-14)17(20)19-16-9-10-18-12-13(16)2/h13-16,18H,3-12H2,1-2H3,(H,19,20)
InChIKeyZNHQAOBNFJUEAX-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120556998
2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119450514
2-(cyclopentylmethyl)-N-pyrrolidin-3-ylbutanamide
CID 119449890
2-(cyclopentylmethyl)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120573985
2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120557800
N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120553440
2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240
2-acetamido-2-cyclopentyl-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556382
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
N-(3-methylpiperidin-4-yl)cyclohexanecarboxamide;hydrochloride
CID 120557474
2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120557148
2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
CID 120553227

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide (CID 120553439) is 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide is CCC(CC1CCCCC1)C(=O)NC1CCNCC1C.
What is the InChIKey of 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide?
The InChIKey is ZNHQAOBNFJUEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-15(11-14-7-5-4-6-8-14)17(20)19-16-9-10-18-12-13(16)2/h13-16,18H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide?
2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide has a molecular weight of 280.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 120553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).