(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone

C14H19N3O — CID 54904602

IUPAC(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C14H19N3O/c15-12-3-1-2-11(10-12)14(18)17-8-6-16(7-9-17)13-4-5-13/h1-3,10,13H,4-9,15H2
InChIKeyPOXIRXOQHGWUFE-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.19
Rot. Bonds2

About (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone

(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 54904602) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID54904602
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C14H19N3O/c15-12-3-1-2-11(10-12)14(18)17-8-6-16(7-9-17)13-4-5-13/h1-3,10,13H,4-9,15H2
InChIKeyPOXIRXOQHGWUFE-UHFFFAOYSA-N
XLogP1.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminophenyl)methanone;dihydrochloride
CID 119881540
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 119708838
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 54904602) is (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone is Nc1cccc(C(=O)N2CCN(C3CC3)CC2)c1.
What is the InChIKey of (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is POXIRXOQHGWUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-12-3-1-2-11(10-12)14(18)17-8-6-16(7-9-17)13-4-5-13/h1-3,10,13H,4-9,15H2.
What are the key properties of (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 245.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 54904602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).