2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

C17H32ClN3O2 — CID 120601875

IUPAC2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)NC(=O)CC2CCCCC2)CCN1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-12-10-15(8-9-18-12)20-17(22)13(2)19-16(21)11-14-6-4-3-5-7-14;/h12-15,18H,3-11H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyIIMSFXGKNPNKIT-UHFFFAOYSA-N
MW345.92 g/mol
LogP2.14
Rot. Bonds5

About 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120601875) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120601875
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)NC(=O)CC2CCCCC2)CCN1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-12-10-15(8-9-18-12)20-17(22)13(2)19-16(21)11-14-6-4-3-5-7-14;/h12-15,18H,3-11H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyIIMSFXGKNPNKIT-UHFFFAOYSA-N
XLogP2.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
CID 106995611
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-cycloheptyloxy-N-(2-methylpiperidin-4-yl)propanamide
CID 120601910
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120599357
N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
CID 106995402
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119473107
(1S,2R,3R,4S)-3-[[(2S)-2-[(2-cyclohexylacetyl)amino]propanoyl]amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 124853614
2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600315

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120601875) is 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CC(NC(=O)C(C)NC(=O)CC2CCCCC2)CCN1.Cl.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is IIMSFXGKNPNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-12-10-15(8-9-18-12)20-17(22)13(2)19-16(21)11-14-6-4-3-5-7-14;/h12-15,18H,3-11H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120601875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).