(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride

C15H25Cl3N4O — CID 119903305

IUPAC(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
SMILESCC(c1cccnc1)N1CCN(C(=O)C2(N)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H22N4O.3ClH/c1-12(13-3-2-6-17-11-13)18-7-9-19(10-8-18)14(20)15(16)4-5-15;;;/h2-3,6,11-12H,4-5,7-10,16H2,1H3;3*1H
InChIKeyPSLKWZKNTZLMKM-UHFFFAOYSA-N
MW383.75 g/mol
LogP2.04
Rot. Bonds3

About (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride

(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride (PubChem CID 119903305) has the molecular formula C15H25Cl3N4O and a molecular weight of 383.75 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
PubChem CID119903305
Molecular FormulaC15H25Cl3N4O
Molecular Weight383.75 g/mol
Exact Mass382.11
IUPAC Name(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
SMILESCC(c1cccnc1)N1CCN(C(=O)C2(N)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H22N4O.3ClH/c1-12(13-3-2-6-17-11-13)18-7-9-19(10-8-18)14(20)15(16)4-5-15;;;/h2-3,6,11-12H,4-5,7-10,16H2,1H3;3*1H
InChIKeyPSLKWZKNTZLMKM-UHFFFAOYSA-N
XLogP2.04
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclohexyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903354
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
(1-aminocyclopropyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868166
(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119855455
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
[4-(1-pyridin-3-ylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081611
1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 96549454
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 119903322
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride (CID 119903305) is (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride is CC(c1cccnc1)N1CCN(C(=O)C2(N)CC2)CC1.Cl.Cl.Cl.
What is the InChIKey of (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride?
The InChIKey is PSLKWZKNTZLMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.3ClH/c1-12(13-3-2-6-17-11-13)18-7-9-19(10-8-18)14(20)15(16)4-5-15;;;/h2-3,6,11-12H,4-5,7-10,16H2,1H3;3*1H.
What are the key properties of (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride?
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride has a molecular weight of 383.75 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride is sourced from PubChem (CID 119903305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).