4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

C22H32N4O3 — CID 53098563

IUPAC4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(CN2CCN(C3CCN(C(=O)NCC4CCCO4)CC3)C2=O)cc1
InChIInChI=1S/C22H32N4O3/c1-17-4-6-18(7-5-17)16-25-12-13-26(22(25)28)19-8-10-24(11-9-19)21(27)23-15-20-3-2-14-29-20/h4-7,19-20H,2-3,8-16H2,1H3,(H,23,27)
InChIKeyDHWSDEZLHKEVRD-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.59
Rot. Bonds5

About 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 53098563) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID53098563
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(CN2CCN(C3CCN(C(=O)NCC4CCCO4)CC3)C2=O)cc1
InChIInChI=1S/C22H32N4O3/c1-17-4-6-18(7-5-17)16-25-12-13-26(22(25)28)19-8-10-24(11-9-19)21(27)23-15-20-3-2-14-29-20/h4-7,19-20H,2-3,8-16H2,1H3,(H,23,27)
InChIKeyDHWSDEZLHKEVRD-UHFFFAOYSA-N
XLogP2.59
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(tert-butylcarbamoylamino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 44286884
1-tert-butyl-3-[[(3S)-2-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 44286885
1-tert-butyl-3-[[(3S)-2-(oxolan-2-ylmethylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 44287236
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 4204658
1-tert-butyl-3-[[(3S)-2-[[(2S)-oxolan-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 44286870
2-(3-Benzyl-2-oxoimidazolidin-1-YL)-N-[3-(morpholin-4-YL)propyl]acetamide
CID 6625049
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18569589
(8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368527
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75410015
3-(8-Benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-1,1-dimethylurea
CID 118745398
1-Cyclohexyl-3-(2-morpholino-2-(p-tolyl)ethyl)urea
CID 18588983
N-cyclopentyl-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098546

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (CID 53098563) is 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is Cc1ccc(CN2CCN(C3CCN(C(=O)NCC4CCCO4)CC3)C2=O)cc1.
What is the InChIKey of 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is DHWSDEZLHKEVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-17-4-6-18(7-5-17)16-25-12-13-26(22(25)28)19-8-10-24(11-9-19)21(27)23-15-20-3-2-14-29-20/h4-7,19-20H,2-3,8-16H2,1H3,(H,23,27).
What are the key properties of 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53098563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).