1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone

C16H23N3O — CID 43280982

IUPAC1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C16H23N3O/c1-13(20)18-8-10-19(11-9-18)16-6-2-14(3-7-16)12-17-15-4-5-15/h2-3,6-7,15,17H,4-5,8-12H2,1H3
InChIKeyDDYCDWHMXMWFCB-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.61
Rot. Bonds4

About 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone

1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone (PubChem CID 43280982) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
PubChem CID43280982
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C16H23N3O/c1-13(20)18-8-10-19(11-9-18)16-6-2-14(3-7-16)12-17-15-4-5-15/h2-3,6-7,15,17H,4-5,8-12H2,1H3
InChIKeyDDYCDWHMXMWFCB-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 43280986
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
1-[4-[4-[(6-bicyclo[3.1.0]hexa-1(6),2,4-trienylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 174657242
4-[[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 122030606
1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
CID 114679392
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
2-[4-(4-acetylpiperazin-1-yl)phenyl]acetic acid
CID 135263317
1-[(3R,4R)-4-[[4-(azepan-1-yl)phenyl]methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093520
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
1-[4-[(cyclopropylamino)methyl]phenyl]-4-methylazepan-4-ol
CID 107405481

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone (CID 43280982) is 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is DDYCDWHMXMWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(20)18-8-10-19(11-9-18)16-6-2-14(3-7-16)12-17-15-4-5-15/h2-3,6-7,15,17H,4-5,8-12H2,1H3.
What are the key properties of 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 43280982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).