1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one

C15H20N4O3 — CID 94792411

IUPAC1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H20N4O3/c20-15-16-7-9-18(15)13-5-3-8-17(11-13)10-12-4-1-2-6-14(12)19(21)22/h1-2,4,6,13H,3,5,7-11H2,(H,16,20)/t13-/m0/s1
InChIKeyNMKRLEQKFNDMMW-ZDUSSCGKSA-N
MW304.35 g/mol
LogP1.58
Rot. Bonds4

About 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 94792411) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID94792411
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H20N4O3/c20-15-16-7-9-18(15)13-5-3-8-17(11-13)10-12-4-1-2-6-14(12)19(21)22/h1-2,4,6,13H,3,5,7-11H2,(H,16,20)/t13-/m0/s1
InChIKeyNMKRLEQKFNDMMW-ZDUSSCGKSA-N
XLogP1.58
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-[(3R)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95590514
1-[(2-nitrophenyl)methyl]imidazolidin-2-one
CID 71758327
2-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]acetic acid
CID 62689776
1-[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95151332
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
CID 56790457
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905304
1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one
CID 95585798
1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one
CID 95771278
ethyl (3S)-1-[(2-nitrophenyl)methyl]piperidine-3-carboxylate
CID 81339233
N-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905707
3-methyl-1-[(2-nitrophenyl)methyl]piperidin-4-one
CID 114500416

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one (CID 94792411) is 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is NMKRLEQKFNDMMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-15-16-7-9-18(15)13-5-3-8-17(11-13)10-12-4-1-2-6-14(12)19(21)22/h1-2,4,6,13H,3,5,7-11H2,(H,16,20)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 94792411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).