(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C17H31N3O — CID 60953970

IUPAC(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESNC1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C17H31N3O/c18-15-6-4-14(5-7-15)17(21)20-12-8-16(9-13-20)19-10-2-1-3-11-19/h14-16H,1-13,18H2
InChIKeyUNCKWPNHNDWFQV-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.98
Rot. Bonds2

About (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 60953970) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID60953970
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESNC1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C17H31N3O/c18-15-6-4-14(5-7-15)17(21)20-12-8-16(9-13-20)19-10-2-1-3-11-19/h14-16H,1-13,18H2
InChIKeyUNCKWPNHNDWFQV-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
CID 170397887
(4-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 20754665
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
4-(azepan-1-yl)cyclohexan-1-amine
CID 62807611
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone
CID 131939794
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 119057158

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 60953970) is (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is NC1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is UNCKWPNHNDWFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c18-15-6-4-14(5-7-15)17(21)20-12-8-16(9-13-20)19-10-2-1-3-11-19/h14-16H,1-13,18H2.
What are the key properties of (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 293.45 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 60953970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).