N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

C24H27N4O+ — CID 7955742

IUPACN-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
SMILESO=C(CC[NH+]1CCN(c2ccccc2)CC1)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C24H26N4O/c29-24(26-25-19-21-9-6-8-20-7-4-5-12-23(20)21)13-14-27-15-17-28(18-16-27)22-10-2-1-3-11-22/h1-12,19H,13-18H2,(H,26,29)/p+1/b25-19-
InChIKeyCZQOMTUEALPJFL-PLRJNAJWSA-O
MW387.51 g/mol
LogP2.09
Rot. Bonds6

About N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide (PubChem CID 7955742) has the molecular formula C24H27N4O+ and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
PubChem CID7955742
Molecular FormulaC24H27N4O+
Molecular Weight387.51 g/mol
Exact Mass387.22
IUPAC NameN-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
SMILESO=C(CC[NH+]1CCN(c2ccccc2)CC1)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C24H26N4O/c29-24(26-25-19-21-9-6-8-20-7-4-5-12-23(20)21)13-14-27-15-17-28(18-16-27)22-10-2-1-3-11-22/h1-12,19H,13-18H2,(H,26,29)/p+1/b25-19-
InChIKeyCZQOMTUEALPJFL-PLRJNAJWSA-O
XLogP2.09
TPSA49.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 7529901
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]propanamide
CID 9112890
N-[(3-methoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 2692852
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 7955819
3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
CID 7955734
4-chloro-2-nitro-6-[(E)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenolate
CID 6910208
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 786240
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135852632
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The IUPAC name of N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide (CID 7955742) is N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The canonical SMILES for N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is O=C(CC[NH+]1CCN(c2ccccc2)CC1)N/N=C\c1cccc2ccccc12.
What is the InChIKey of N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The InChIKey is CZQOMTUEALPJFL-PLRJNAJWSA-O. The full InChI is InChI=1S/C24H26N4O/c29-24(26-25-19-21-9-6-8-20-7-4-5-12-23(20)21)13-14-27-15-17-28(18-16-27)22-10-2-1-3-11-22/h1-12,19H,13-18H2,(H,26,29)/p+1/b25-19-.
What are the key properties of N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide?
N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is sourced from PubChem (CID 7955742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).