(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone

C16H31N3O — CID 62782120

IUPAC(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1N
InChIInChI=1S/C16H31N3O/c1-12-5-6-13(11-14(12)17)15(20)18-7-9-19(10-8-18)16(2,3)4/h12-14H,5-11,17H2,1-4H3
InChIKeyRADJIWTVCZQUPJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds1

About (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone

(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 62782120) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID62782120
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1N
InChIInChI=1S/C16H31N3O/c1-12-5-6-13(11-14(12)17)15(20)18-7-9-19(10-8-18)16(2,3)4/h12-14H,5-11,17H2,1-4H3
InChIKeyRADJIWTVCZQUPJ-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 102706693
(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
CID 62780914
(3-amino-4-methylcyclohexyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674274
(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55218094
(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 64823652
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-4-methylcyclohexyl)methanone
CID 62781711
(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62780960
(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62781610
(3-aminocyclopentyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 66009012
(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611
(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
CID 134513239

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone (CID 62782120) is (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone is CC1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1N.
What is the InChIKey of (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is RADJIWTVCZQUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-5-6-13(11-14(12)17)15(20)18-7-9-19(10-8-18)16(2,3)4/h12-14H,5-11,17H2,1-4H3.
What are the key properties of (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone?
(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 62782120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).