(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone

C14H27N3O — CID 60847754

IUPAC(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-7-16-8-10-17(11-9-16)14(18)12-3-5-13(15)6-4-12/h12-13H,2-11,15H2,1H3
InChIKeyUMFYBABDQSFRLM-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

About (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone

(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 60847754) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
PubChem CID60847754
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-7-16-8-10-17(11-9-16)14(18)12-3-5-13(15)6-4-12/h12-13H,2-11,15H2,1H3
InChIKeyUMFYBABDQSFRLM-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 60964122
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
(4-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 20754665
4-propylpiperazine-1-carboxamide
CID 16792615
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone (CID 60847754) is (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)C2CCC(N)CC2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is UMFYBABDQSFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-7-16-8-10-17(11-9-16)14(18)12-3-5-13(15)6-4-12/h12-13H,2-11,15H2,1H3.
What are the key properties of (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone?
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 60847754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).