N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide

C19H28N4O — CID 7955784

IUPACN-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NN=C1CCCCC1
InChIInChI=1S/C19H28N4O/c24-19(21-20-17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18/h2,5-6,9-10H,1,3-4,7-8,11-16H2,(H,21,24)
InChIKeyMCHGEQVDFJZSFD-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.63
Rot. Bonds5

About N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide

N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 7955784) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID7955784
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NN=C1CCCCC1
InChIInChI=1S/C19H28N4O/c24-19(21-20-17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18/h2,5-6,9-10H,1,3-4,7-8,11-16H2,(H,21,24)
InChIKeyMCHGEQVDFJZSFD-UHFFFAOYSA-N
XLogP2.63
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.63
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)-1-(4-bromophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 18292295
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135852632
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide
CID 31962588
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 16555946
N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2477195
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 8688142
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide (CID 7955784) is N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is MCHGEQVDFJZSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c24-19(21-20-17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18/h2,5-6,9-10H,1,3-4,7-8,11-16H2,(H,21,24).
What are the key properties of N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 7955784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).