(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone

C16H30N2O — CID 61296841

IUPAC(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-11-4-6-15(17)12-18/h13-15H,2-12,17H2,1H3
InChIKeyWLIIOEKPTGKRQS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds4

About (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone

(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone (PubChem CID 61296841) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
PubChem CID61296841
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-11-4-6-15(17)12-18/h13-15H,2-12,17H2,1H3
InChIKeyWLIIOEKPTGKRQS-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
methyl 1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylate
CID 108731313
[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 115969502
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263642
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257240
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
[4-(1-aminoethyl)piperidin-1-yl]-(4-butylcyclohexyl)methanone;hydrochloride
CID 119520046

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone (CID 61296841) is (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone is CCCCC1CCC(C(=O)N2CCCC(N)C2)CC1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone?
The InChIKey is WLIIOEKPTGKRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-11-4-6-15(17)12-18/h13-15H,2-12,17H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone?
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone has a molecular weight of 266.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone is sourced from PubChem (CID 61296841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).