N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide

C19H28N4O2 — CID 138053127

IUPACN-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCC(CN3CCNC3=O)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-15-2-4-16(5-3-15)6-9-20-18(24)22-11-7-17(8-12-22)14-23-13-10-21-19(23)25/h2-5,17H,6-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyNDGOSLMGACJLFR-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.98
Rot. Bonds5

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

N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 138053127) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID138053127
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCC(CN3CCNC3=O)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-15-2-4-16(5-3-15)6-9-20-18(24)22-11-7-17(8-12-22)14-23-13-10-21-19(23)25/h2-5,17H,6-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyNDGOSLMGACJLFR-UHFFFAOYSA-N
XLogP1.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
N-cyclohexyl-4-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057680
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 92731410
N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 86962871
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90495552
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896048

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide (CID 138053127) is N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide is Cc1ccc(CCNC(=O)N2CCC(CN3CCNC3=O)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is NDGOSLMGACJLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-2-4-16(5-3-15)6-9-20-18(24)22-11-7-17(8-12-22)14-23-13-10-21-19(23)25/h2-5,17H,6-14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide?
N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138053127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).