2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride

C19H36ClN3O — CID 119926459

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCCC(NC(=O)CN2CCC(NCC3CC3)CC2)C1C.Cl
InChIInChI=1S/C19H35N3O.ClH/c1-14-4-3-5-18(15(14)2)21-19(23)13-22-10-8-17(9-11-22)20-12-16-6-7-16;/h14-18,20H,3-13H2,1-2H3,(H,21,23);1H
InChIKeyNRBPSNOUTVJSNT-UHFFFAOYSA-N
MW357.97 g/mol
LogP2.81
Rot. Bonds6

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride (PubChem CID 119926459) has the molecular formula C19H36ClN3O and a molecular weight of 357.97 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
PubChem CID119926459
Molecular FormulaC19H36ClN3O
Molecular Weight357.97 g/mol
Exact Mass357.25
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCCC(NC(=O)CN2CCC(NCC3CC3)CC2)C1C.Cl
InChIInChI=1S/C19H35N3O.ClH/c1-14-4-3-5-18(15(14)2)21-19(23)13-22-10-8-17(9-11-22)20-12-16-6-7-16;/h14-18,20H,3-13H2,1-2H3,(H,21,23);1H
InChIKeyNRBPSNOUTVJSNT-UHFFFAOYSA-N
XLogP2.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119927916
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
N-cyclopentyl-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119926446
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926408
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55909529
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 81493119
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride (CID 119926459) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride is CC1CCCC(NC(=O)CN2CCC(NCC3CC3)CC2)C1C.Cl.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride?
The InChIKey is NRBPSNOUTVJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O.ClH/c1-14-4-3-5-18(15(14)2)21-19(23)13-22-10-8-17(9-11-22)20-12-16-6-7-16;/h14-18,20H,3-13H2,1-2H3,(H,21,23);1H.
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride has a molecular weight of 357.97 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119926459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).