1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide

C15H28N4O2 — CID 64551452

IUPAC1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC2CCN(CC(N)=O)CC2)C1
InChIInChI=1S/C15H28N4O2/c1-11-3-2-6-15(17,9-11)14(21)18-12-4-7-19(8-5-12)10-13(16)20/h11-12H,2-10,17H2,1H3,(H2,16,20)(H,18,21)
InChIKeySWDPMZWKXRTFPG-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.04
Rot. Bonds4

About 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide (PubChem CID 64551452) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide
PubChem CID64551452
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC2CCN(CC(N)=O)CC2)C1
InChIInChI=1S/C15H28N4O2/c1-11-3-2-6-15(17,9-11)14(21)18-12-4-7-19(8-5-12)10-13(16)20/h11-12H,2-10,17H2,1H3,(H2,16,20)(H,18,21)
InChIKeySWDPMZWKXRTFPG-UHFFFAOYSA-N
XLogP-0.04
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-cyclopentyl-3-methylcyclohexane-1-carboxamide
CID 64548983
1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64554668
2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64552519
1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853481
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(1,1-dioxothian-3-yl)-3-methylcyclohexane-1-carboxamide
CID 64554877
2-[4-[(4-methylcycloheptyl)amino]piperidin-1-yl]acetamide
CID 65079766
1-amino-3-methyl-N-(2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64553819
1-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119841090
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide
CID 65083386

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide (CID 64551452) is 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NC2CCN(CC(N)=O)CC2)C1.
What is the InChIKey of 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is SWDPMZWKXRTFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11-3-2-6-15(17,9-11)14(21)18-12-4-7-19(8-5-12)10-13(16)20/h11-12H,2-10,17H2,1H3,(H2,16,20)(H,18,21).
What are the key properties of 1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 296.42 g/mol, XLogP of -0.04, 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-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64551452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).