N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide

C19H26N4O4 — CID 46667378

IUPACN-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H26N4O4/c1-14(18(24)20-16-6-2-3-7-17(16)23(26)27)21-12-8-15(9-13-21)19(25)22-10-4-5-11-22/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,24)
InChIKeyULQMCSGNKGWCSS-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.26
Rot. Bonds5

About N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide

N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide (PubChem CID 46667378) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
PubChem CID46667378
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H26N4O4/c1-14(18(24)20-16-6-2-3-7-17(16)23(26)27)21-12-8-15(9-13-21)19(25)22-10-4-5-11-22/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,24)
InChIKeyULQMCSGNKGWCSS-UHFFFAOYSA-N
XLogP2.26
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-benzyl-1-[1-(2-nitroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 45351239
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331
N-(2-nitrophenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]propanamide
CID 71846089
(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide
CID 97067721
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
1-[1-(2-methyl-3-nitroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905069
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927379
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
(2R)-N-(2-nitrophenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 100858045
N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide (CID 46667378) is N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The InChIKey is ULQMCSGNKGWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-14(18(24)20-16-6-2-3-7-17(16)23(26)27)21-12-8-15(9-13-21)19(25)22-10-4-5-11-22/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,24).
What are the key properties of N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide has a molecular weight of 374.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 46667378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).