2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

C15H29ClN4O2 — CID 120597978

IUPAC2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CC(NC(=O)CNC(=O)NC2CCCCC2)CCN1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-11-9-13(7-8-16-11)18-14(20)10-17-15(21)19-12-5-3-2-4-6-12;/h11-13,16H,2-10H2,1H3,(H,18,20)(H2,17,19,21);1H
InChIKeyXDTYFRPGXGFILW-UHFFFAOYSA-N
MW332.88 g/mol
LogP1.30
Rot. Bonds4

About 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120597978) has the molecular formula C15H29ClN4O2 and a molecular weight of 332.88 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120597978
Molecular FormulaC15H29ClN4O2
Molecular Weight332.88 g/mol
Exact Mass332.20
IUPAC Name2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CC(NC(=O)CNC(=O)NC2CCCCC2)CCN1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-11-9-13(7-8-16-11)18-14(20)10-17-15(21)19-12-5-3-2-4-6-12;/h11-13,16H,2-10H2,1H3,(H,18,20)(H2,17,19,21);1H
InChIKeyXDTYFRPGXGFILW-UHFFFAOYSA-N
XLogP1.30
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
CID 106995611
N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
CID 106995402
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119759466
2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601875
N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
CID 119524542
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
CID 119473062
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120597978) is 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is CC1CC(NC(=O)CNC(=O)NC2CCCCC2)CCN1.Cl.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is XDTYFRPGXGFILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.ClH/c1-11-9-13(7-8-16-11)18-14(20)10-17-15(21)19-12-5-3-2-4-6-12;/h11-13,16H,2-10H2,1H3,(H,18,20)(H2,17,19,21);1H.
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120597978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).