1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride

C14H29Cl2N3O — CID 119831826

IUPAC1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN1CCC(NC(=O)C2(CN)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-2-17-9-5-12(6-10-17)16-13(18)14(11-15)7-3-4-8-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H
InChIKeyUWPOZBPJTKOUOP-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.95
Rot. Bonds4

About 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride

1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119831826) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119831826
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC Name1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN1CCC(NC(=O)C2(CN)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-2-17-9-5-12(6-10-17)16-13(18)14(11-15)7-3-4-8-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H
InChIKeyUWPOZBPJTKOUOP-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853473
N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452571
4-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]oxane-4-carboxamide;dihydrochloride
CID 120939451
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 115447469
1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 115441634
1-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119819128
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
2-ethyl-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 83071590
1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 115441631

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride (CID 119831826) is 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride is CCN1CCC(NC(=O)C2(CN)CCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is UWPOZBPJTKOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-2-17-9-5-12(6-10-17)16-13(18)14(11-15)7-3-4-8-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H.
What are the key properties of 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride?
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119831826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).