1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea

C18H26N4O2 — CID 166243112

IUPAC1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C18H26N4O2/c1-21(18(24)20-15-9-10-19-17(15)23)13-14-7-3-4-8-16(14)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyGZEMHRBBYPUJJV-HNNXBMFYSA-N
MW330.43 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea

1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea (PubChem CID 166243112) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea
PubChem CID166243112
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C18H26N4O2/c1-21(18(24)20-15-9-10-19-17(15)23)13-14-7-3-4-8-16(14)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyGZEMHRBBYPUJJV-HNNXBMFYSA-N
XLogP1.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 87003169
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685812
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51264469
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 136515618
1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030528
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030634
1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 122569454
3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46523779
N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide
CID 17491782

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea (CID 166243112) is 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea is CN(Cc1ccccc1N1CCCCC1)C(=O)N[C@H]1CCNC1=O.
What is the InChIKey of 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea?
The InChIKey is GZEMHRBBYPUJJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(18(24)20-15-9-10-19-17(15)23)13-14-7-3-4-8-16(14)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,19,23)(H,20,24)/t15-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea?
1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea has a molecular weight of 330.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 166243112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).