4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide

C17H26N4O4 — CID 36911975

IUPAC4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H26N4O4/c1-14(2)25-13-5-8-18-17(22)20-11-9-19(10-12-20)15-6-3-4-7-16(15)21(23)24/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,18,22)
InChIKeyXNZJRQYRTBNXCX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.24
Rot. Bonds7

About 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide

4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide (PubChem CID 36911975) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
PubChem CID36911975
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H26N4O4/c1-14(2)25-13-5-8-18-17(22)20-11-9-19(10-12-20)15-6-3-4-7-16(15)21(23)24/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,18,22)
InChIKeyXNZJRQYRTBNXCX-UHFFFAOYSA-N
XLogP2.24
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-chloro-2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 41355300
4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 18129546
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360
N-(2-benzamidoethyl)-4-(2-nitrophenyl)piperazine-1-carboxamide
CID 55590455
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-nitrophenyl)piperazine-1-carboxamide
CID 55698823
2,2-dimethyl-N-[4-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]propanamide
CID 38632796
2-chloro-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 43346839
(2R)-2-amino-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 78973438
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 9014191
2-amino-3-methoxy-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120983662
N-[4-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 31235669
N-butyl-4-(4-chloro-2-nitrophenyl)piperazine-1-carboxamide
CID 41354036

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide (CID 36911975) is 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide is CC(C)OCCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The InChIKey is XNZJRQYRTBNXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-14(2)25-13-5-8-18-17(22)20-11-9-19(10-12-20)15-6-3-4-7-16(15)21(23)24/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,18,22).
What are the key properties of 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide?
4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 36911975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).