[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea

C20H29N3O4 — CID 41307290

IUPAC[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-4-13(2)17(22-20(21)26)19(25)23-11-9-15(10-12-23)18(24)14-5-7-16(27-3)8-6-14/h5-8,13,15,17H,4,9-12H2,1-3H3,(H3,21,22,26)/t13-,17-/m0/s1
InChIKeyDPCYEGPKSKKYHB-GUYCJALGSA-N
MW375.47 g/mol
LogP2.20
Rot. Bonds7

About [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea

[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea (PubChem CID 41307290) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
PubChem CID41307290
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-4-13(2)17(22-20(21)26)19(25)23-11-9-15(10-12-23)18(24)14-5-7-16(27-3)8-6-14/h5-8,13,15,17H,4,9-12H2,1-3H3,(H3,21,22,26)/t13-,17-/m0/s1
InChIKeyDPCYEGPKSKKYHB-GUYCJALGSA-N
XLogP2.20
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55502633
[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
CID 43391802
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55501604
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25474499
4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25473091
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56540565
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 112627448

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea (CID 41307290) is [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea is CC[C@H](C)[C@H](NC(N)=O)C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea?
The InChIKey is DPCYEGPKSKKYHB-GUYCJALGSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-13(2)17(22-20(21)26)19(25)23-11-9-15(10-12-23)18(24)14-5-7-16(27-3)8-6-14/h5-8,13,15,17H,4,9-12H2,1-3H3,(H3,21,22,26)/t13-,17-/m0/s1.
What are the key properties of [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea?
[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea has a molecular weight of 375.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 41307290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).