3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

C14H29Cl2N3O — CID 119850859

IUPAC3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CCN(CCNC(=O)C2CCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-11-4-7-17(8-5-11)9-6-16-14(18)12-2-3-13(15)10-12;;/h11-13H,2-10,15H2,1H3,(H,16,18);2*1H
InChIKeyYKQMSRASNVKUFJ-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119850859) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119850859
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC Name3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CCN(CCNC(=O)C2CCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-11-4-7-17(8-5-11)9-6-16-14(18)12-2-3-13(15)10-12;;/h11-13H,2-10,15H2,1H3,(H,16,18);2*1H
InChIKeyYKQMSRASNVKUFJ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119901784
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
4-amino-2-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 62782757
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119850090
(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 94119516
3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858858
3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115739203
3-amino-N-[(1-ethylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008591
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119850859) is 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is CC1CCN(CCNC(=O)C2CCC(N)C2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is YKQMSRASNVKUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-11-4-7-17(8-5-11)9-6-16-14(18)12-2-3-13(15)10-12;;/h11-13H,2-10,15H2,1H3,(H,16,18);2*1H.
What are the key properties of 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119850859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).