N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

C20H30N4O4 — CID 41356313

IUPACN-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(NCCCOC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H30N4O4/c25-20(21-11-4-16-28-19-5-2-1-3-6-19)23-14-12-22(13-15-23)17-7-9-18(10-8-17)24(26)27/h7-10,19H,1-6,11-16H2,(H,21,25)
InChIKeyNPZWCFGVIATJFA-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.17
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 41356313) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID41356313
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(NCCCOC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H30N4O4/c25-20(21-11-4-16-28-19-5-2-1-3-6-19)23-14-12-22(13-15-23)17-7-9-18(10-8-17)24(26)27/h7-10,19H,1-6,11-16H2,(H,21,25)
InChIKeyNPZWCFGVIATJFA-UHFFFAOYSA-N
XLogP3.17
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.17
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': 'Aliphatic_long_chain', '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

4-(4-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11516334
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 55473682
4-benzyl-N-(3-cyclohexyloxypropyl)-1,4-diazepane-1-carboxamide
CID 55473586
N-(3-cyclohexyloxypropyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 55794163
N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 60964997
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 17171276
6-[1-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]piperidin-4-yl]oxyhexyl prop-2-enoate
CID 19994001
1-[4-(4-nitrophenyl)butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122003141
2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 63828920
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (CID 41356313) is N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is O=C(NCCCOC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is NPZWCFGVIATJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c25-20(21-11-4-16-28-19-5-2-1-3-6-19)23-14-12-22(13-15-23)17-7-9-18(10-8-17)24(26)27/h7-10,19H,1-6,11-16H2,(H,21,25).
What are the key properties of N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 41356313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).