N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide

C21H28N4O4 — CID 9033186

IUPACN-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide
SMILESO=C(CC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1)NC1CC1
InChIInChI=1S/C21H28N4O4/c26-19(22-16-3-4-16)15-21(9-1-2-10-21)20(27)24-13-11-23(12-14-24)17-5-7-18(8-6-17)25(28)29/h5-8,16H,1-4,9-15H2,(H,22,26)
InChIKeyGSYCHZJHGPQIKX-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.47
Rot. Bonds6

About N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide

N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide (PubChem CID 9033186) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide
PubChem CID9033186
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide
SMILESO=C(CC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1)NC1CC1
InChIInChI=1S/C21H28N4O4/c26-19(22-16-3-4-16)15-21(9-1-2-10-21)20(27)24-13-11-23(12-14-24)17-5-7-18(8-6-17)25(28)29/h5-8,16H,1-4,9-15H2,(H,22,26)
InChIKeyGSYCHZJHGPQIKX-UHFFFAOYSA-N
XLogP2.47
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 27172798
2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
CID 47054291
N-[1-(4-nitrophenyl)pyrrolidin-3-yl]propanamide
CID 91082159
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 68685984
N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41356313
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43402804

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide (CID 9033186) is N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide is O=C(CC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide?
The InChIKey is GSYCHZJHGPQIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c26-19(22-16-3-4-16)15-21(9-1-2-10-21)20(27)24-13-11-23(12-14-24)17-5-7-18(8-6-17)25(28)29/h5-8,16H,1-4,9-15H2,(H,22,26).
What are the key properties of N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide?
N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide is sourced from PubChem (CID 9033186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).