(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea

C12H23N3O2 — CID 60634937

IUPAC(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)10(14-12(13)17)11(16)15-7-5-4-6-8-15/h9-10H,3-8H2,1-2H3,(H3,13,14,17)
InChIKeyLQUZROCXVAYUTQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds4

About (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea

(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea (PubChem CID 60634937) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea.

Molecular Properties

Compound Name(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
PubChem CID60634937
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)10(14-12(13)17)11(16)15-7-5-4-6-8-15/h9-10H,3-8H2,1-2H3,(H3,13,14,17)
InChIKeyLQUZROCXVAYUTQ-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
CID 43391802
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 112627448
1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid
CID 43171082
1-[2-(carbamoylamino)-3-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720993
ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 41307290
[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 4282020
[(2S,3S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 7918845
(2S)-2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]amino]-3-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]butanamide
CID 140733709
2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]amino]-3-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]butanamide
CID 162277558
1-(2-aminoacetyl)-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
CID 70338404

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea?
The IUPAC name of (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea (CID 60634937) is (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea.
What is the SMILES notation for (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea?
The canonical SMILES for (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea is CCC(C)C(NC(N)=O)C(=O)N1CCCCC1.
What is the InChIKey of (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea?
The InChIKey is LQUZROCXVAYUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9(2)10(14-12(13)17)11(16)15-7-5-4-6-8-15/h9-10H,3-8H2,1-2H3,(H3,13,14,17).
What are the key properties of (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea?
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea has a molecular weight of 241.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea is sourced from PubChem (CID 60634937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).