N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide

C14H18ClN3O4 — CID 46801980

IUPACN-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)CC1
InChIInChI=1S/C14H18ClN3O4/c1-9(17-6-4-11(19)5-7-17)14(20)16-13-3-2-10(18(21)22)8-12(13)15/h2-3,8-9,11,19H,4-7H2,1H3,(H,16,20)
InChIKeyKBYPLRAWDNAYRE-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.03
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide

N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide (PubChem CID 46801980) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
PubChem CID46801980
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)CC1
InChIInChI=1S/C14H18ClN3O4/c1-9(17-6-4-11(19)5-7-17)14(20)16-13-3-2-10(18(21)22)8-12(13)15/h2-3,8-9,11,19H,4-7H2,1H3,(H,16,20)
InChIKeyKBYPLRAWDNAYRE-UHFFFAOYSA-N
XLogP2.03
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide
CID 18284057
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide
CID 55601018
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 41331845
(2S)-N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97066675
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide
CID 120775302
N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 55470406
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
(2S)-N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25357702

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide (CID 46801980) is N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)CC1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide?
The InChIKey is KBYPLRAWDNAYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-9(17-6-4-11(19)5-7-17)14(20)16-13-3-2-10(18(21)22)8-12(13)15/h2-3,8-9,11,19H,4-7H2,1H3,(H,16,20).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide?
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide has a molecular weight of 327.77 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide is sourced from PubChem (CID 46801980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).