(3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide

C19H28N4O2 — CID 97305994

IUPAC(3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESCC[C@]1(C)CCCN(C(=O)Nc2ccccc2CN2CCNC2=O)C1
InChIInChI=1S/C19H28N4O2/c1-3-19(2)9-6-11-23(14-19)18(25)21-16-8-5-4-7-15(16)13-22-12-10-20-17(22)24/h4-5,7-8H,3,6,9-14H2,1-2H3,(H,20,24)(H,21,25)/t19-/m1/s1
InChIKeyAUYSNUJPKOYYLZ-LJQANCHMSA-N
MW344.46 g/mol
LogP3.26
Rot. Bonds4

About (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide

(3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide (PubChem CID 97305994) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
PubChem CID97305994
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESCC[C@]1(C)CCCN(C(=O)Nc2ccccc2CN2CCNC2=O)C1
InChIInChI=1S/C19H28N4O2/c1-3-19(2)9-6-11-23(14-19)18(25)21-16-8-5-4-7-15(16)13-22-12-10-20-17(22)24/h4-5,7-8H,3,6,9-14H2,1-2H3,(H,20,24)(H,21,25)/t19-/m1/s1
InChIKeyAUYSNUJPKOYYLZ-LJQANCHMSA-N
XLogP3.26
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 166204417
1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 75505388
2-(3-methylphenyl)-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 75472823
2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 103357280
1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea
CID 166211641
3-fluoro-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 75517433
N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 126770812
2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
CID 83822306
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 75447935
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
CID 119945515

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide (CID 97305994) is (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide is CC[C@]1(C)CCCN(C(=O)Nc2ccccc2CN2CCNC2=O)C1.
What is the InChIKey of (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The InChIKey is AUYSNUJPKOYYLZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-19(2)9-6-11-23(14-19)18(25)21-16-8-5-4-7-15(16)13-22-12-10-20-17(22)24/h4-5,7-8H,3,6,9-14H2,1-2H3,(H,20,24)(H,21,25)/t19-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
(3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97305994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).