N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C17H35Cl2N3O — CID 119830098

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC1(N(C)C)CCCC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-14(15-7-6-10-18-12-15)11-16(21)19-13-17(20(2)3)8-4-5-9-17;;/h14-15,18H,4-13H2,1-3H3,(H,19,21);2*1H
InChIKeyGVQXLEULMXXZBJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.85
Rot. Bonds6

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119830098) has the molecular formula C17H35Cl2N3O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119830098
Molecular FormulaC17H35Cl2N3O
Molecular Weight368.39 g/mol
Exact Mass367.22
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC1(N(C)C)CCCC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-14(15-7-6-10-18-12-15)11-16(21)19-13-17(20(2)3)8-4-5-9-17;;/h14-15,18H,4-13H2,1-3H3,(H,19,21);2*1H
InChIKeyGVQXLEULMXXZBJ-UHFFFAOYSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119788862
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide
CID 119812115
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119782234
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769948
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119830098) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)NCC1(N(C)C)CCCC1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is GVQXLEULMXXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.2ClH/c1-14(15-7-6-10-18-12-15)11-16(21)19-13-17(20(2)3)8-4-5-9-17;;/h14-15,18H,4-13H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 368.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119830098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).