N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide

C24H30N4O4 — CID 55574744

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C24H30N4O4/c29-24(21-17-20(28(30)31)9-10-22(21)26-11-5-2-6-12-26)25-18-23(19-7-3-1-4-8-19)27-13-15-32-16-14-27/h1,3-4,7-10,17,23H,2,5-6,11-16,18H2,(H,25,29)
InChIKeyHDTCTCFQUBBHAF-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.39
Rot. Bonds7

About N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide

N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide (PubChem CID 55574744) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide
PubChem CID55574744
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C24H30N4O4/c29-24(21-17-20(28(30)31)9-10-22(21)26-11-5-2-6-12-26)25-18-23(19-7-3-1-4-8-19)27-13-15-32-16-14-27/h1,3-4,7-10,17,23H,2,5-6,11-16,18H2,(H,25,29)
InChIKeyHDTCTCFQUBBHAF-UHFFFAOYSA-N
XLogP3.39
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-(2-phenylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 55337765
N-(2-hydroxypropyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 78800109
5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 26313236
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 60597261
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30878238
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
4-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 46578636
5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperidin-1-ylbenzamide
CID 26378988
N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 97020028
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 18589031
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide (CID 55574744) is N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide?
The InChIKey is HDTCTCFQUBBHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-24(21-17-20(28(30)31)9-10-22(21)26-11-5-2-6-12-26)25-18-23(19-7-3-1-4-8-19)27-13-15-32-16-14-27/h1,3-4,7-10,17,23H,2,5-6,11-16,18H2,(H,25,29).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide?
N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 55574744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).