2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride

C19H36ClN3O — CID 119926559

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC(N(C)C(=O)CN2CCC(NCC3CC3)CC2)CC1.Cl
InChIInChI=1S/C19H35N3O.ClH/c1-15-3-7-18(8-4-15)21(2)19(23)14-22-11-9-17(10-12-22)20-13-16-5-6-16;/h15-18,20H,3-14H2,1-2H3;1H
InChIKeyJJMUJNODHKOIND-UHFFFAOYSA-N
MW357.97 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride (PubChem CID 119926559) 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-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
PubChem CID119926559
Molecular FormulaC19H36ClN3O
Molecular Weight357.97 g/mol
Exact Mass357.25
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC(N(C)C(=O)CN2CCC(NCC3CC3)CC2)CC1.Cl
InChIInChI=1S/C19H35N3O.ClH/c1-15-3-7-18(8-4-15)21(2)19(23)14-22-11-9-17(10-12-22)20-13-16-5-6-16;/h15-18,20H,3-14H2,1-2H3;1H
InChIKeyJJMUJNODHKOIND-UHFFFAOYSA-N
XLogP2.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
2-(1,4-diazaspiro[5.5]undecan-4-yl)-N-methyl-N-pentylacetamide
CID 49853579
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358
(6R)-6-butyl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 53299353
N-(4-methylcyclohexyl)-2-(piperazin-1-yl)acetamide
CID 22762711
2,2-Dimethyl-N-{1-[(2-methyl-cyclohexylcarbamoyl)-methyl]-piperidin-4-yl}-propionamide
CID 6486966
(6S)-6-(4-aminobutyl)-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 16745898
(6S)-6-[(2S)-butan-2-yl]-1-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281038
N-cyclohexyl-2-cyclopropyl-2-(4-ethylpiperazin-1-yl)acetamide
CID 51361430
(6S)-1-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359789

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride (CID 119926559) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride is CC1CCC(N(C)C(=O)CN2CCC(NCC3CC3)CC2)CC1.Cl.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The InChIKey is JJMUJNODHKOIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O.ClH/c1-15-3-7-18(8-4-15)21(2)19(23)14-22-11-9-17(10-12-22)20-13-16-5-6-16;/h15-18,20H,3-14H2,1-2H3;1H.
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride has a molecular weight of 357.97 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119926559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).