1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine

C15H29N5O — CID 104888216

IUPAC1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine
SMILESCC(N/C(=N/C1CCCCC1)NN)C(=O)N1CCCCC1
InChIInChI=1S/C15H29N5O/c1-12(14(21)20-10-6-3-7-11-20)17-15(19-16)18-13-8-4-2-5-9-13/h12-13H,2-11,16H2,1H3,(H2,17,18,19)
InChIKeyLOUMDYYKVLSPHT-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.13
Rot. Bonds3

About 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine

1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine (PubChem CID 104888216) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine
PubChem CID104888216
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine
SMILESCC(N/C(=N/C1CCCCC1)NN)C(=O)N1CCCCC1
InChIInChI=1S/C15H29N5O/c1-12(14(21)20-10-6-3-7-11-20)17-15(19-16)18-13-8-4-2-5-9-13/h12-13H,2-11,16H2,1H3,(H2,17,18,19)
InChIKeyLOUMDYYKVLSPHT-UHFFFAOYSA-N
XLogP1.13
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine
CID 104882422
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine
CID 104886695
2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81391730
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine (CID 104888216) is 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine is CC(N/C(=N/C1CCCCC1)NN)C(=O)N1CCCCC1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine?
The InChIKey is LOUMDYYKVLSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-12(14(21)20-10-6-3-7-11-20)17-15(19-16)18-13-8-4-2-5-9-13/h12-13H,2-11,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine?
1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine has a molecular weight of 295.43 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine is sourced from PubChem (CID 104888216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).