1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea

C18H27N3O3 — CID 124852141

IUPAC1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
SMILESCN1C[C@@H](NC(=O)NC(C)(C)COCc2ccccc2)CCC1=O
InChIInChI=1S/C18H27N3O3/c1-18(2,13-24-12-14-7-5-4-6-8-14)20-17(23)19-15-9-10-16(22)21(3)11-15/h4-8,15H,9-13H2,1-3H3,(H2,19,20,23)/t15-/m0/s1
InChIKeyUHLAXDMXQQALFU-HNNXBMFYSA-N
MW333.43 g/mol
LogP1.90
Rot. Bonds6

About 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea

1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea (PubChem CID 124852141) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
PubChem CID124852141
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
SMILESCN1C[C@@H](NC(=O)NC(C)(C)COCc2ccccc2)CCC1=O
InChIInChI=1S/C18H27N3O3/c1-18(2,13-24-12-14-7-5-4-6-8-14)20-17(23)19-15-9-10-16(22)21(3)11-15/h4-8,15H,9-13H2,1-3H3,(H2,19,20,23)/t15-/m0/s1
InChIKeyUHLAXDMXQQALFU-HNNXBMFYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide
CID 100706995
1-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124844383
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124852777
2-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 79801781
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124845954
3-benzylsulfanyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 135089627
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124844930
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 103928096
(2S)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64668639
2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid
CID 79464236

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea?
The IUPAC name of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea (CID 124852141) is 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea.
What is the SMILES notation for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea?
The canonical SMILES for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea is CN1C[C@@H](NC(=O)NC(C)(C)COCc2ccccc2)CCC1=O.
What is the InChIKey of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea?
The InChIKey is UHLAXDMXQQALFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,13-24-12-14-7-5-4-6-8-14)20-17(23)19-15-9-10-16(22)21(3)11-15/h4-8,15H,9-13H2,1-3H3,(H2,19,20,23)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea?
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea has a molecular weight of 333.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea is sourced from PubChem (CID 124852141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).