(4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one

C33H39N3O2 — CID 73355478

IUPAC(4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C33H39N3O2/c37-33-35(28-12-6-2-7-13-28)25-32(27-10-4-1-5-11-27)36(33)29-20-22-34(23-21-29)24-26-16-18-31(19-17-26)38-30-14-8-3-9-15-30/h1,3-5,8-11,14-19,28-29,32H,2,6-7,12-13,20-25H2/t32-/m0/s1
InChIKeyHHCBWVIBTCVDEC-YTTGMZPUSA-N
MW509.69 g/mol
LogP7.25
Rot. Bonds7

About (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one

(4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one (PubChem CID 73355478) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one
PubChem CID73355478
Molecular FormulaC33H39N3O2
Molecular Weight509.69 g/mol
Exact Mass509.30
IUPAC Name(4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C33H39N3O2/c37-33-35(28-12-6-2-7-13-28)25-32(27-10-4-1-5-11-27)36(33)29-20-22-34(23-21-29)24-26-16-18-31(19-17-26)38-30-14-8-3-9-15-30/h1,3-5,8-11,14-19,28-29,32H,2,6-7,12-13,20-25H2/t32-/m0/s1
InChIKeyHHCBWVIBTCVDEC-YTTGMZPUSA-N
XLogP7.25
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one with MolForge

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Related Compounds

(R)-N-(1-(4-methoxyphenyl)ethyl)-N-(3-(4-methylpiperazin-1-yl)propyl)-3,3-diphenylprop-2-en-1-amine
CID 155689984
1-[1-[2-(Dimethylamino)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 163778154
3-(1-Benzyl-piperidin-4-yl)-5,5-di-(4-methoxyphenyl)-imidazolidin-2-one
CID 16125224
3-(1-Phenoxyethyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125507
3-(1-(4-Methoxybenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125618
1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-(4-methoxy-benzyl)-urea
CID 44392220
1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(4-methoxy-benzyl)-urea
CID 44392253
(S)-N-(4-phenoxybenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418541
N-(4-phenoxybenzyl)-4-cyclopentylpiperazine-1-carboxamide
CID 44418567
N-(4-phenoxybenzyl)-4-isopropylpiperazine-1-carboxamide
CID 44418574
1-[2-[4-[2-[2-Oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one
CID 54597742
4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenyl-imidazolidin-1-yl]-1-piperidyl]methyl]phenoxy]benzamide
CID 56647023

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one (CID 73355478) is (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one is O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The InChIKey is HHCBWVIBTCVDEC-YTTGMZPUSA-N. The full InChI is InChI=1S/C33H39N3O2/c37-33-35(28-12-6-2-7-13-28)25-32(27-10-4-1-5-11-27)36(33)29-20-22-34(23-21-29)24-26-16-18-31(19-17-26)38-30-14-8-3-9-15-30/h1,3-5,8-11,14-19,28-29,32H,2,6-7,12-13,20-25H2/t32-/m0/s1.
What are the key properties of (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
(4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one has a molecular weight of 509.69 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 73355478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).