1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea

C15H27N3O2 — CID 71971487

IUPAC1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea
SMILESCC(C)CC1(CNC(=O)NC2CCC(=O)NC2)CCC1
InChIInChI=1S/C15H27N3O2/c1-11(2)8-15(6-3-7-15)10-17-14(20)18-12-4-5-13(19)16-9-12/h11-12H,3-10H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyNKFAESQNLWAVDG-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.78
Rot. Bonds5

About 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea

1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea (PubChem CID 71971487) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea
PubChem CID71971487
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea
SMILESCC(C)CC1(CNC(=O)NC2CCC(=O)NC2)CCC1
InChIInChI=1S/C15H27N3O2/c1-11(2)8-15(6-3-7-15)10-17-14(20)18-12-4-5-13(19)16-9-12/h11-12H,3-10H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyNKFAESQNLWAVDG-UHFFFAOYSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
1-methyl-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 78953464
2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686679
1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114156297
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
1-amino-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307576
1-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 63661531
2-amino-N-(6-oxopiperidin-3-yl)pentanamide
CID 63661228
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea?
The IUPAC name of 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea (CID 71971487) is 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea is CC(C)CC1(CNC(=O)NC2CCC(=O)NC2)CCC1.
What is the InChIKey of 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea?
The InChIKey is NKFAESQNLWAVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)8-15(6-3-7-15)10-17-14(20)18-12-4-5-13(19)16-9-12/h11-12H,3-10H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea?
1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea has a molecular weight of 281.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea is sourced from PubChem (CID 71971487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).