[2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone

C19H23ClN4O2 — CID 118794900

IUPAC[2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESNCCCOc1cc(Cl)ccc1C(=O)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C19H23ClN4O2/c20-15-4-5-17(18(13-15)26-12-2-6-21)19(25)24-10-8-23(9-11-24)16-3-1-7-22-14-16/h1,3-5,7,13-14H,2,6,8-12,21H2
InChIKeyZIGWTLAXSXSEJR-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.42
Rot. Bonds6

About [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone

[2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 118794900) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID118794900
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name[2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESNCCCOc1cc(Cl)ccc1C(=O)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C19H23ClN4O2/c20-15-4-5-17(18(13-15)26-12-2-6-21)19(25)24-10-8-23(9-11-24)16-3-1-7-22-14-16/h1,3-5,7,13-14H,2,6,8-12,21H2
InChIKeyZIGWTLAXSXSEJR-UHFFFAOYSA-N
XLogP2.42
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[2-(3-aminopropoxy)-4-chlorophenyl]-pyrrolidin-1-ylmethanone
CID 154906698
2-chloro-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 167917546
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 77082727
acetic acid;[2-(3-aminopropoxy)-4-chlorophenyl]-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methanone
CID 172910277
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 110452050
4-(2,4-dichlorophenoxy)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256499
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 72938609
1-[2-(3-aminopropoxy)-4-chlorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 118774005

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone (CID 118794900) is [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone is NCCCOc1cc(Cl)ccc1C(=O)N1CCN(c2cccnc2)CC1.
What is the InChIKey of [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is ZIGWTLAXSXSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-15-4-5-17(18(13-15)26-12-2-6-21)19(25)24-10-8-23(9-11-24)16-3-1-7-22-14-16/h1,3-5,7,13-14H,2,6,8-12,21H2.
What are the key properties of [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
[2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 374.87 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropoxy)-4-chlorophenyl]-(4-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 118794900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).