N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

C14H18ClN3O4 — CID 111102185

IUPACN-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1CCO
InChIInChI=1S/C14H18ClN3O4/c15-12-9-11(18(21)22)4-5-13(12)16-14(20)17-7-2-1-3-10(17)6-8-19/h4-5,9-10,19H,1-3,6-8H2,(H,16,20)
InChIKeyYFNZJIQTHRTAAS-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.02
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111102185) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111102185
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1CCO
InChIInChI=1S/C14H18ClN3O4/c15-12-9-11(18(21)22)4-5-13(12)16-14(20)17-7-2-1-3-10(17)6-8-19/h4-5,9-10,19H,1-3,6-8H2,(H,16,20)
InChIKeyYFNZJIQTHRTAAS-UHFFFAOYSA-N
XLogP3.02
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.02
H-Bond Donors ≤ 52
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

(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol
CID 106891932
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 62468286
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-chloro-4-nitrophenyl)acetamide
CID 11940822
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134086224
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-cyclopentyl-dimethylazanium
CID 8875505
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
2-(methylaminomethyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 115316419

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 111102185) is N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1CCO.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is YFNZJIQTHRTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c15-12-9-11(18(21)22)4-5-13(12)16-14(20)17-7-2-1-3-10(17)6-8-19/h4-5,9-10,19H,1-3,6-8H2,(H,16,20).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111102185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).