N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C18H23N5O3 — CID 47055628

IUPACN-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H23N5O3/c1-14(12-21-11-8-19-13-21)20-18(24)15-6-9-22(10-7-15)16-4-2-3-5-17(16)23(25)26/h2-5,8,11,13-15H,6-7,9-10,12H2,1H3,(H,20,24)
InChIKeyTVZJJDVSECATDU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.21
Rot. Bonds6

About N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 47055628) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID47055628
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H23N5O3/c1-14(12-21-11-8-19-13-21)20-18(24)15-6-9-22(10-7-15)16-4-2-3-5-17(16)23(25)26/h2-5,8,11,13-15H,6-7,9-10,12H2,1H3,(H,20,24)
InChIKeyTVZJJDVSECATDU-UHFFFAOYSA-N
XLogP2.21
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-methylheptan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 43000012
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 51080012
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25359789
methyl (2S)-3-methyl-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]butanoate
CID 60618921
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide
CID 17499311
N-(1-imidazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119856864
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
1-[(2S)-1-methoxypropan-2-yl]-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiourea
CID 9160710
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55662691

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 47055628) is N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide is CC(Cn1ccnc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is TVZJJDVSECATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-14(12-21-11-8-19-13-21)20-18(24)15-6-9-22(10-7-15)16-4-2-3-5-17(16)23(25)26/h2-5,8,11,13-15H,6-7,9-10,12H2,1H3,(H,20,24).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 47055628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).