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

C15H30Cl2N4O2 — CID 119853473

IUPAC1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCNC(=O)CN1CCC(NC(=O)C2(CN)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O2.2ClH/c1-17-13(20)10-19-8-4-12(5-9-19)18-14(21)15(11-16)6-2-3-7-15;;/h12H,2-11,16H2,1H3,(H,17,20)(H,18,21);2*1H
InChIKeyXSJUQKDANGENFP-UHFFFAOYSA-N
MW369.34 g/mol
LogP0.68
Rot. Bonds5

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

1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119853473) has the molecular formula C15H30Cl2N4O2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119853473
Molecular FormulaC15H30Cl2N4O2
Molecular Weight369.34 g/mol
Exact Mass368.17
IUPAC Name1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCNC(=O)CN1CCC(NC(=O)C2(CN)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O2.2ClH/c1-17-13(20)10-19-8-4-12(5-9-19)18-14(21)15(11-16)6-2-3-7-15;;/h12H,2-11,16H2,1H3,(H,17,20)(H,18,21);2*1H
InChIKeyXSJUQKDANGENFP-UHFFFAOYSA-N
XLogP0.68
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853481
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
CID 63130917
N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452571
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 81075421
4-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]oxane-4-carboxamide;dihydrochloride
CID 120939451
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
CID 65225141
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32531017
1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 115441634

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119853473) is 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is CNC(=O)CN1CCC(NC(=O)C2(CN)CCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is XSJUQKDANGENFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.2ClH/c1-17-13(20)10-19-8-4-12(5-9-19)18-14(21)15(11-16)6-2-3-7-15;;/h12H,2-11,16H2,1H3,(H,17,20)(H,18,21);2*1H.
What are the key properties of 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119853473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).