N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide

C22H25ClN4O4 — CID 2972706

IUPACN-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H25ClN4O4/c23-17-5-4-6-18(21(17)26-9-2-1-3-10-26)24-22(28)16-7-8-19(20(15-16)27(29)30)25-11-13-31-14-12-25/h4-8,15H,1-3,9-14H2,(H,24,28)
InChIKeyNSCSIGAKFQMCAJ-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.33
Rot. Bonds5

About N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide

N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 2972706) has the molecular formula C22H25ClN4O4 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID2972706
Molecular FormulaC22H25ClN4O4
Molecular Weight444.92 g/mol
Exact Mass444.16
IUPAC NameN-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H25ClN4O4/c23-17-5-4-6-18(21(17)26-9-2-1-3-10-26)24-22(28)16-7-8-19(20(15-16)27(29)30)25-11-13-31-14-12-25/h4-8,15H,1-3,9-14H2,(H,24,28)
InChIKeyNSCSIGAKFQMCAJ-UHFFFAOYSA-N
XLogP4.33
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.33
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-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17177066
N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2972421
N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide
CID 2967198
4-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
CID 4810767
N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17117691
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
methyl 4-morpholin-4-yl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate
CID 17336608
N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide
CID 2980005

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide (CID 2972706) is N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide is O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is NSCSIGAKFQMCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4/c23-17-5-4-6-18(21(17)26-9-2-1-3-10-26)24-22(28)16-7-8-19(20(15-16)27(29)30)25-11-13-31-14-12-25/h4-8,15H,1-3,9-14H2,(H,24,28).
What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 444.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 2972706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).