2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride

C18H34ClN3O — CID 119682315

IUPAC2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H33N3O.ClH/c22-17(14-19-13-16-7-8-16)20-15-18(9-3-1-4-10-18)21-11-5-2-6-12-21;/h16,19H,1-15H2,(H,20,22);1H
InChIKeyGISHMIIYQRAKNI-UHFFFAOYSA-N
MW343.94 g/mol
LogP2.71
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride (PubChem CID 119682315) has the molecular formula C18H34ClN3O and a molecular weight of 343.94 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
PubChem CID119682315
Molecular FormulaC18H34ClN3O
Molecular Weight343.94 g/mol
Exact Mass343.24
IUPAC Name2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H33N3O.ClH/c22-17(14-19-13-16-7-8-16)20-15-18(9-3-1-4-10-18)21-11-5-2-6-12-21;/h16,19H,1-15H2,(H,20,22);1H
InChIKeyGISHMIIYQRAKNI-UHFFFAOYSA-N
XLogP2.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.94
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 63420585
2-(cyclopropylmethylamino)-N-[(1-propylcyclobutyl)methyl]acetamide;hydrochloride
CID 119821719
2-(cyclopropylmethylamino)-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103812610
N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
2-(cyclopropylmethylamino)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782237
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
N-(cyclopropylmethyl)-2-[(1-hydroxycyclohexyl)methylamino]acetamide
CID 65108692
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
2-morpholin-2-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682320
3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
CID 119682326
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride (CID 119682315) is 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride?
The InChIKey is GISHMIIYQRAKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O.ClH/c22-17(14-19-13-16-7-8-16)20-15-18(9-3-1-4-10-18)21-11-5-2-6-12-21;/h16,19H,1-15H2,(H,20,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride has a molecular weight of 343.94 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119682315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).