1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride

C14H28Cl2N4O2 — CID 119853481

IUPAC1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCNC(=O)CN1CCC(NC(=O)C2(N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O2.2ClH/c1-16-12(19)10-18-8-4-11(5-9-18)17-13(20)14(15)6-2-3-7-14;;/h11H,2-10,15H2,1H3,(H,16,19)(H,17,20);2*1H
InChIKeyAVUHYPQTIFAHOS-UHFFFAOYSA-N
MW355.31 g/mol
LogP0.43
Rot. Bonds4

About 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119853481) has the molecular formula C14H28Cl2N4O2 and a molecular weight of 355.31 g/mol. Its IUPAC name is 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119853481
Molecular FormulaC14H28Cl2N4O2
Molecular Weight355.31 g/mol
Exact Mass354.16
IUPAC Name1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCNC(=O)CN1CCC(NC(=O)C2(N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O2.2ClH/c1-16-12(19)10-18-8-4-11(5-9-18)17-13(20)14(15)6-2-3-7-14;;/h11H,2-10,15H2,1H3,(H,16,19)(H,17,20);2*1H
InChIKeyAVUHYPQTIFAHOS-UHFFFAOYSA-N
XLogP0.43
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853473
1-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119841090
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
CID 63130917
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide
CID 64551452
2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-N-methylacetamide
CID 60936918
1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879160
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
1-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119278564
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883491

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119853481) is 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is CNC(=O)CN1CCC(NC(=O)C2(N)CCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is AVUHYPQTIFAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.2ClH/c1-16-12(19)10-18-8-4-11(5-9-18)17-13(20)14(15)6-2-3-7-14;;/h11H,2-10,15H2,1H3,(H,16,19)(H,17,20);2*1H.
What are the key properties of 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 355.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119853481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).