N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide

C22H21N3O3 — CID 2980005

IUPACN-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H21N3O3/c26-22(23-19-10-6-8-16-7-2-3-9-18(16)19)17-11-12-20(21(15-17)25(27)28)24-13-4-1-5-14-24/h2-3,6-12,15H,1,4-5,13-14H2,(H,23,26)
InChIKeyUJYWKHVKUNAENH-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.99
Rot. Bonds4

About N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide

N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide (PubChem CID 2980005) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide
PubChem CID2980005
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H21N3O3/c26-22(23-19-10-6-8-16-7-2-3-9-18(16)19)17-11-12-20(21(15-17)25(27)28)24-13-4-1-5-14-24/h2-3,6-12,15H,1,4-5,13-14H2,(H,23,26)
InChIKeyUJYWKHVKUNAENH-UHFFFAOYSA-N
XLogP4.99
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-bromophenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 3618267
4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitrobenzamide
CID 27687727
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-(2-methyl-3-nitrophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 26796727
4-(azepan-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide
CID 7922524
3-nitro-4-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3761996
N-[2-(methylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 34752127
ethyl 2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]benzoate
CID 7922521
N-(2-cyclopentylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510249
4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide
CID 7996640
N-(4-benzamidophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510251
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide?
The IUPAC name of N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide (CID 2980005) is N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide is O=C(Nc1cccc2ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide?
The InChIKey is UJYWKHVKUNAENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(23-19-10-6-8-16-7-2-3-9-18(16)19)17-11-12-20(21(15-17)25(27)28)24-13-4-1-5-14-24/h2-3,6-12,15H,1,4-5,13-14H2,(H,23,26).
What are the key properties of N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide?
N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 2980005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).