(3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C15H29N3O — CID 62781203

IUPAC(3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC1CCC(C(=O)N2CCN(C(C)C)CC2)CC1N
InChIInChI=1S/C15H29N3O/c1-11(2)17-6-8-18(9-7-17)15(19)13-5-4-12(3)14(16)10-13/h11-14H,4-10,16H2,1-3H3
InChIKeyTVXUZPIJFGIWSI-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds2

About (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 62781203) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID62781203
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC1CCC(C(=O)N2CCN(C(C)C)CC2)CC1N
InChIInChI=1S/C15H29N3O/c1-11(2)17-6-8-18(9-7-17)15(19)13-5-4-12(3)14(16)10-13/h11-14H,4-10,16H2,1-3H3
InChIKeyTVXUZPIJFGIWSI-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 62781203) is (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC1CCC(C(=O)N2CCN(C(C)C)CC2)CC1N.
What is the InChIKey of (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is TVXUZPIJFGIWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(2)17-6-8-18(9-7-17)15(19)13-5-4-12(3)14(16)10-13/h11-14H,4-10,16H2,1-3H3.
What are the key properties of (3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3-amino-4-methylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 1.30, 2 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-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62781203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).