N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide

C17H24N4O3 — CID 43043050

IUPACN-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H24N4O3/c1-13(17(22)18-15-6-7-15)20-10-8-19(9-11-20)12-14-4-2-3-5-16(14)21(23)24/h2-5,13,15H,6-12H2,1H3,(H,18,22)
InChIKeyDOIYHNZPEIFZOR-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.38
Rot. Bonds6

About N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 43043050) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
PubChem CID43043050
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H24N4O3/c1-13(17(22)18-15-6-7-15)20-10-8-19(9-11-20)12-14-4-2-3-5-16(14)21(23)24/h2-5,13,15H,6-12H2,1H3,(H,18,22)
InChIKeyDOIYHNZPEIFZOR-UHFFFAOYSA-N
XLogP1.38
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.38
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

(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
1-cyclohexyl-3-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]urea
CID 47070677
1-butan-2-yl-4-[(2-nitrophenyl)methyl]piperazine;oxalic acid
CID 2900173
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
N-[[1-[(2-nitrophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 63847912
(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 94669702

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide (CID 43043050) is N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is DOIYHNZPEIFZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13(17(22)18-15-6-7-15)20-10-8-19(9-11-20)12-14-4-2-3-5-16(14)21(23)24/h2-5,13,15H,6-12H2,1H3,(H,18,22).
What are the key properties of N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 332.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 43043050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).