N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide

C15H29N3O — CID 63252377

IUPACN-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCC(N2CCCC(C(=O)NCCN)C2)CC1
InChIInChI=1S/C15H29N3O/c1-12-4-6-14(7-5-12)18-10-2-3-13(11-18)15(19)17-9-8-16/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyFDXHIQLZSBFRTF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds4

About N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide (PubChem CID 63252377) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide
PubChem CID63252377
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCC(N2CCCC(C(=O)NCCN)C2)CC1
InChIInChI=1S/C15H29N3O/c1-12-4-6-14(7-5-12)18-10-2-3-13(11-18)15(19)17-9-8-16/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyFDXHIQLZSBFRTF-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.35
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-(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-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide
CID 64625243
N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
CID 79946528
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
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-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide (CID 63252377) is N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide is CC1CCC(N2CCCC(C(=O)NCCN)C2)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is FDXHIQLZSBFRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-4-6-14(7-5-12)18-10-2-3-13(11-18)15(19)17-9-8-16/h12-14H,2-11,16H2,1H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 63252377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).