(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone

C15H27N3O — CID 64554205

IUPAC(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C15H27N3O/c1-12-3-2-6-15(16,11-12)14(19)18-9-7-17(8-10-18)13-4-5-13/h12-13H,2-11,16H2,1H3
InChIKeySGKWNASMPCFCJI-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.20
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone

(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 64554205) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID64554205
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C15H27N3O/c1-12-3-2-6-15(16,11-12)14(19)18-9-7-17(8-10-18)13-4-5-13/h12-13H,2-11,16H2,1H3
InChIKeySGKWNASMPCFCJI-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
(1-amino-3-methylcyclohexyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810951
(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 64552763
3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid
CID 64555062
(1-aminocyclopentyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119843053
2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64552519
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
(1-amino-3-methylcyclohexyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743669
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625249

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 64554205) is (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone is CC1CCCC(N)(C(=O)N2CCN(C3CC3)CC2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is SGKWNASMPCFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-3-2-6-15(16,11-12)14(19)18-9-7-17(8-10-18)13-4-5-13/h12-13H,2-11,16H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone?
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 64554205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).