2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride

C16H31ClN2O2 — CID 120557800

IUPAC2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCCC(OC1CCCCC1)C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-15(20-13-7-5-4-6-8-13)16(19)18-14-9-10-17-11-12(14)2;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H
InChIKeyXWYCTNFUYZXLSW-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.65
Rot. Bonds5

About 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride

2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 120557800) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID120557800
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCCC(OC1CCCCC1)C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-15(20-13-7-5-4-6-8-13)16(19)18-14-9-10-17-11-12(14)2;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H
InChIKeyXWYCTNFUYZXLSW-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide
CID 120553439
2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120556998
N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide
CID 119603538
N-(3-methylpiperidin-4-yl)cyclohexanecarboxamide;hydrochloride
CID 120557474
2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120557148
2-acetamido-2-cyclopentyl-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556382
2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
CID 120553227
2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447644
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120553440
2-cyclohexyloxy-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120654844
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (CID 120557800) is 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is CCC(OC1CCCCC1)C(=O)NC1CCNCC1C.Cl.
What is the InChIKey of 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is XWYCTNFUYZXLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-3-15(20-13-7-5-4-6-8-13)16(19)18-14-9-10-17-11-12(14)2;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120557800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).