1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide

C16H32N4O — CID 115435181

IUPAC1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)C2(CN)CCCC2)CC1
InChIInChI=1S/C16H32N4O/c1-15(2,20-10-8-19(3)9-11-20)13-18-14(21)16(12-17)6-4-5-7-16/h4-13,17H2,1-3H3,(H,18,21)
InChIKeyMPLGWKRTMKYRQE-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.65
Rot. Bonds5

About 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide (PubChem CID 115435181) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
PubChem CID115435181
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)C2(CN)CCCC2)CC1
InChIInChI=1S/C16H32N4O/c1-15(2,20-10-8-19(3)9-11-20)13-18-14(21)16(12-17)6-4-5-7-16/h4-13,17H2,1-3H3,(H,18,21)
InChIKeyMPLGWKRTMKYRQE-UHFFFAOYSA-N
XLogP0.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
2-(1-aminocyclopentyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64677798
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 83063608
4-(aminomethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]oxane-4-carboxamide
CID 120941475
3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
CID 64677799
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 113311791
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
1-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119854626
1-(aminomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 115437980
1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide
CID 63863931

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide (CID 115435181) is 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide is CN1CCN(C(C)(C)CNC(=O)C2(CN)CCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide?
The InChIKey is MPLGWKRTMKYRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-15(2,20-10-8-19(3)9-11-20)13-18-14(21)16(12-17)6-4-5-7-16/h4-13,17H2,1-3H3,(H,18,21).
What are the key properties of 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 115435181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).