(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide

C17H24N4O4 — CID 97067721

IUPAC(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C17H24N4O4/c1-13(17(22)18-15-4-2-3-5-16(15)21(23)24)19-7-9-20(10-8-19)14-6-11-25-12-14/h2-5,13-14H,6-12H2,1H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyAPSYJVGGXJJNED-KGLIPLIRSA-N
MW348.40 g/mol
LogP1.33
Rot. Bonds5

About (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide

(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide (PubChem CID 97067721) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide
PubChem CID97067721
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C17H24N4O4/c1-13(17(22)18-15-4-2-3-5-16(15)21(23)24)19-7-9-20(10-8-19)14-6-11-25-12-14/h2-5,13-14H,6-12H2,1H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyAPSYJVGGXJJNED-KGLIPLIRSA-N
XLogP1.33
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.33
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-(2-nitrophenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]propanamide
CID 71846089
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 46667378
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24506735
N-benzyl-1-[1-(2-nitroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 45351239
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
(2R)-N-(2-nitrophenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 100858045
(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 9275818
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
CID 43043050

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide (CID 97067721) is (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1.
What is the InChIKey of (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide?
The InChIKey is APSYJVGGXJJNED-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-13(17(22)18-15-4-2-3-5-16(15)21(23)24)19-7-9-20(10-8-19)14-6-11-25-12-14/h2-5,13-14H,6-12H2,1H3,(H,18,22)/t13-,14+/m1/s1.
What are the key properties of (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide?
(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide has a molecular weight of 348.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 97067721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).