N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide

C17H31N3O — CID 64625243

IUPACN-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C2CCCC(C3CC3)C2)C1
InChIInChI=1S/C17H31N3O/c18-8-9-19-17(21)15-4-2-10-20(12-15)16-5-1-3-14(11-16)13-6-7-13/h13-16H,1-12,18H2,(H,19,21)
InChIKeyIYKFKXDYHOLEMU-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.74
Rot. Bonds5

About N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide (PubChem CID 64625243) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide
PubChem CID64625243
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C2CCCC(C3CC3)C2)C1
InChIInChI=1S/C17H31N3O/c18-8-9-19-17(21)15-4-2-10-20(12-15)16-5-1-3-14(11-16)13-6-7-13/h13-16H,1-12,18H2,(H,19,21)
InChIKeyIYKFKXDYHOLEMU-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(1,1-dioxothian-4-yl)piperidine-3-carboxamide
CID 63252234
N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 63252377
N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 63252510
N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
CID 63333083
N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
CID 79946528
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
CID 114810707
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
CID 63253099

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide (CID 64625243) is N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C2CCCC(C3CC3)C2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is IYKFKXDYHOLEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c18-8-9-19-17(21)15-4-2-10-20(12-15)16-5-1-3-14(11-16)13-6-7-13/h13-16H,1-12,18H2,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 64625243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).