N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide

C24H34N6O3 — CID 19778073

IUPACN-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide
SMILESCCCN(CCC)/C(=C/[N+](=O)[O-])N1CCC(N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C24H34N6O3/c1-4-13-27(14-5-2)23(18-30(32)33)28-15-10-21(11-16-28)26(3)24(31)20-6-8-22(9-7-20)29-17-12-25-19-29/h6-9,12,17-19,21H,4-5,10-11,13-16H2,1-3H3/b23-18-
InChIKeyMQBXJPKQXVJPEI-NKFKGCMQSA-N
MW454.58 g/mol
LogP3.61
Rot. Bonds10

About N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide

N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide (PubChem CID 19778073) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide
PubChem CID19778073
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC NameN-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide
SMILESCCCN(CCC)/C(=C/[N+](=O)[O-])N1CCC(N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C24H34N6O3/c1-4-13-27(14-5-2)23(18-30(32)33)28-15-10-21(11-16-28)26(3)24(31)20-6-8-22(9-7-20)29-17-12-25-19-29/h6-9,12,17-19,21H,4-5,10-11,13-16H2,1-3H3/b23-18-
InChIKeyMQBXJPKQXVJPEI-NKFKGCMQSA-N
XLogP3.61
TPSA87.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 56891256
[(3R,4R)-3-[[ethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 70746068
1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea
CID 19778071
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-ethyl-4-imidazol-1-yl-N-methyl-3-nitrobenzamide
CID 134023564
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 129430226
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110026224
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide?
The IUPAC name of N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide (CID 19778073) is N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide.
What is the SMILES notation for N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide?
The canonical SMILES for N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide is CCCN(CCC)/C(=C/[N+](=O)[O-])N1CCC(N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide?
The InChIKey is MQBXJPKQXVJPEI-NKFKGCMQSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-4-13-27(14-5-2)23(18-30(32)33)28-15-10-21(11-16-28)26(3)24(31)20-6-8-22(9-7-20)29-17-12-25-19-29/h6-9,12,17-19,21H,4-5,10-11,13-16H2,1-3H3/b23-18-.
What are the key properties of N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide?
N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide has a molecular weight of 454.58 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide is sourced from PubChem (CID 19778073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).