1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide

C15H27N3O — CID 79636357

IUPAC1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC(N2CCCCC2)C1
InChIInChI=1S/C15H27N3O/c16-14(19)15(17-12-6-7-12)8-4-5-13(11-15)18-9-2-1-3-10-18/h12-13,17H,1-11H2,(H2,16,19)
InChIKeyCQTZWYCSUVDOBH-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.39
Rot. Bonds4

About 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide

1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 79636357) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID79636357
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC(N2CCCCC2)C1
InChIInChI=1S/C15H27N3O/c16-14(19)15(17-12-6-7-12)8-4-5-13(11-15)18-9-2-1-3-10-18/h12-13,17H,1-11H2,(H2,16,19)
InChIKeyCQTZWYCSUVDOBH-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide (CID 79636357) is 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide is NC(=O)C1(NC2CC2)CCCC(N2CCCCC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is CQTZWYCSUVDOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c16-14(19)15(17-12-6-7-12)8-4-5-13(11-15)18-9-2-1-3-10-18/h12-13,17H,1-11H2,(H2,16,19).
What are the key properties of 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide?
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 79636357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).