[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea

C19H29N3O3 — CID 124852461

IUPAC[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea
SMILESCC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)16(21-18(20)24)17(23)22-11-9-14(10-12-22)13-25-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H3,20,21,24)/t16-/m1/s1
InChIKeyUVJDILQKYIWSLK-MRXNPFEDSA-N
MW347.46 g/mol
LogP2.39
Rot. Bonds5

About [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea

[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea (PubChem CID 124852461) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea
PubChem CID124852461
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea
SMILESCC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)16(21-18(20)24)17(23)22-11-9-14(10-12-22)13-25-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H3,20,21,24)/t16-/m1/s1
InChIKeyUVJDILQKYIWSLK-MRXNPFEDSA-N
XLogP2.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea with MolForge

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911
N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide
CID 167912458
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 120789992
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
N-[(2R)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-(4-phenoxyphenyl)propan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide
CID 135176201
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906

Frequently Asked Questions

What is the IUPAC name of [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea?
The IUPAC name of [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea (CID 124852461) is [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea.
What is the SMILES notation for [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea?
The canonical SMILES for [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea is CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea?
The InChIKey is UVJDILQKYIWSLK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,3)16(21-18(20)24)17(23)22-11-9-14(10-12-22)13-25-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H3,20,21,24)/t16-/m1/s1.
What are the key properties of [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea?
[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea has a molecular weight of 347.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea is sourced from PubChem (CID 124852461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).