1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea

C15H27N3O2 — CID 75370731

IUPAC1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea
SMILESCN(CC1CCC1)C(=O)NCCCN1CCCCC1=O
InChIInChI=1S/C15H27N3O2/c1-17(12-13-6-4-7-13)15(20)16-9-5-11-18-10-3-2-8-14(18)19/h13H,2-12H2,1H3,(H,16,20)
InChIKeyBKENTVKTAMKNPD-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.83
Rot. Bonds6

About 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea

1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea (PubChem CID 75370731) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea
PubChem CID75370731
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea
SMILESCN(CC1CCC1)C(=O)NCCCN1CCCCC1=O
InChIInChI=1S/C15H27N3O2/c1-17(12-13-6-4-7-13)15(20)16-9-5-11-18-10-3-2-8-14(18)19/h13H,2-12H2,1H3,(H,16,20)
InChIKeyBKENTVKTAMKNPD-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87014138
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87013297
2-[methyl-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119913641
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea (CID 75370731) is 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea is CN(CC1CCC1)C(=O)NCCCN1CCCCC1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea?
The InChIKey is BKENTVKTAMKNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-17(12-13-6-4-7-13)15(20)16-9-5-11-18-10-3-2-8-14(18)19/h13H,2-12H2,1H3,(H,16,20).
What are the key properties of 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea?
1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea has a molecular weight of 281.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea is sourced from PubChem (CID 75370731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).