N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide

C21H27N5O3 — CID 133287688

IUPACN-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1
InChIInChI=1S/C21H27N5O3/c1-15(21(27)22-17-4-2-3-5-17)24-10-12-25(13-11-24)20-9-6-16-14-18(26(28)29)7-8-19(16)23-20/h6-9,14-15,17H,2-5,10-13H2,1H3,(H,22,27)
InChIKeyWOHMFNHEBLCEGX-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.71
Rot. Bonds5

About N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide (PubChem CID 133287688) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide
PubChem CID133287688
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1
InChIInChI=1S/C21H27N5O3/c1-15(21(27)22-17-4-2-3-5-17)24-10-12-25(13-11-24)20-9-6-16-14-18(26(28)29)7-8-19(16)23-20/h6-9,14-15,17H,2-5,10-13H2,1H3,(H,22,27)
InChIKeyWOHMFNHEBLCEGX-UHFFFAOYSA-N
XLogP2.71
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
N-[(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-yl]butanamide
CID 96567403
N-methyl-1-(6-nitroquinolin-2-yl)pyrrolidin-3-amine
CID 115300813
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
1-(6-nitroquinolin-2-yl)azetidin-3-ol
CID 63282678
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
4-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-methyl-3-nitrobenzamide
CID 133287671
2-(4-butylpiperazin-1-yl)-6-nitroquinoline
CID 73265420

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide (CID 133287688) is N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is WOHMFNHEBLCEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15(21(27)22-17-4-2-3-5-17)24-10-12-25(13-11-24)20-9-6-16-14-18(26(28)29)7-8-19(16)23-20/h6-9,14-15,17H,2-5,10-13H2,1H3,(H,22,27).
What are the key properties of N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 133287688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).