(4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one

C17H23N3O3 — CID 97064148

IUPAC(4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one
SMILESCOc1ccccc1CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1
InChIInChI=1S/C17H23N3O3/c1-23-15-5-3-2-4-13(15)10-12-6-8-20(9-7-12)16(21)14-11-18-17(22)19-14/h2-5,12,14H,6-11H2,1H3,(H2,18,19,22)/t14-/m1/s1
InChIKeyCTZOFQIKVMDQKK-CQSZACIVSA-N
MW317.39 g/mol
LogP1.16
Rot. Bonds4

About (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one

(4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one (PubChem CID 97064148) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one
PubChem CID97064148
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one
SMILESCOc1ccccc1CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1
InChIInChI=1S/C17H23N3O3/c1-23-15-5-3-2-4-13(15)10-12-6-8-20(9-7-12)16(21)14-11-18-17(22)19-14/h2-5,12,14H,6-11H2,1H3,(H2,18,19,22)/t14-/m1/s1
InChIKeyCTZOFQIKVMDQKK-CQSZACIVSA-N
XLogP1.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]imidazolidin-2-one
CID 71877831
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
(2S)-2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119769107
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 95278344
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791673
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
(4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one
CID 97276683
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95174845

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one (CID 97064148) is (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one is COc1ccccc1CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1.
What is the InChIKey of (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one?
The InChIKey is CTZOFQIKVMDQKK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-5-3-2-4-13(15)10-12-6-8-20(9-7-12)16(21)14-11-18-17(22)19-14/h2-5,12,14H,6-11H2,1H3,(H2,18,19,22)/t14-/m1/s1.
What are the key properties of (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one?
(4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 97064148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).