N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide

C20H23ClN4O — CID 2477195

IUPACN-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN4O/c21-18-6-4-5-17(15-18)16-22-23-20(26)9-10-24-11-13-25(14-12-24)19-7-2-1-3-8-19/h1-8,15-16H,9-14H2,(H,23,26)
InChIKeyPDVIVGGWEKVPBX-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.00
Rot. Bonds6

About N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide

N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 2477195) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID2477195
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN4O/c21-18-6-4-5-17(15-18)16-22-23-20(26)9-10-24-11-13-25(14-12-24)19-7-2-1-3-8-19/h1-8,15-16H,9-14H2,(H,23,26)
InChIKeyPDVIVGGWEKVPBX-UHFFFAOYSA-N
XLogP3.00
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692809
N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692829
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 16555946
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135852632
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
CID 6021675
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136714219
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide
CID 18272424
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 42991252

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide (CID 2477195) is N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is PDVIVGGWEKVPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-18-6-4-5-17(15-18)16-22-23-20(26)9-10-24-11-13-25(14-12-24)19-7-2-1-3-8-19/h1-8,15-16H,9-14H2,(H,23,26).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide?
N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 370.88 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 2477195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).