N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide

C22H23ClN4O3 — CID 42931721

IUPACN-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H23ClN4O3/c1-14(22(28)25-21-7-6-16(27(29)30)12-19(21)23)26-10-8-15(9-11-26)18-13-24-20-5-3-2-4-17(18)20/h2-7,12-15,24H,8-11H2,1H3,(H,25,28)
InChIKeyPLYZZVXQBGASSG-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.94
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide

N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide (PubChem CID 42931721) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
PubChem CID42931721
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H23ClN4O3/c1-14(22(28)25-21-7-6-16(27(29)30)12-19(21)23)26-10-8-15(9-11-26)18-13-24-20-5-3-2-4-17(18)20/h2-7,12-15,24H,8-11H2,1H3,(H,25,28)
InChIKeyPLYZZVXQBGASSG-UHFFFAOYSA-N
XLogP4.94
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.94
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

(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 41379567
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 41414932
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 25492854
(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41379703
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414942
N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide
CID 55601018
2-[1-[(2,4-dichlorophenyl)carbamoyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 58617664
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 55470406

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide (CID 42931721) is N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is PLYZZVXQBGASSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-14(22(28)25-21-7-6-16(27(29)30)12-19(21)23)26-10-8-15(9-11-26)18-13-24-20-5-3-2-4-17(18)20/h2-7,12-15,24H,8-11H2,1H3,(H,25,28).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 426.90 g/mol, XLogP of 4.94, 5 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-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 42931721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).