1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea

C16H31N3O — CID 52505296

IUPAC1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESC[C@@H](C1CC1)N(C)C(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(14-8-9-14)18(4)15(20)17-12-16(2,3)19-10-6-5-7-11-19/h13-14H,5-12H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyMBBMLNGWUZMOOA-ZDUSSCGKSA-N
MW281.44 g/mol
LogP2.69
Rot. Bonds5

About 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea

1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea (PubChem CID 52505296) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
PubChem CID52505296
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESC[C@@H](C1CC1)N(C)C(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(14-8-9-14)18(4)15(20)17-12-16(2,3)19-10-6-5-7-11-19/h13-14H,5-12H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyMBBMLNGWUZMOOA-ZDUSSCGKSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111120835
1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588688
1-(azepan-1-yl)-2-[[(1S)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588686
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
CID 96539152
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61267138
N-(2-methyl-2-piperidin-1-ylpropyl)-2-methylsulfanylacetamide
CID 78785728
2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 131914175
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111453991
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
(2R)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2-methoxypropanamide
CID 95238788
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838520

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea (CID 52505296) is 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea is C[C@@H](C1CC1)N(C)C(=O)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is MBBMLNGWUZMOOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(14-8-9-14)18(4)15(20)17-12-16(2,3)19-10-6-5-7-11-19/h13-14H,5-12H2,1-4H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 281.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 52505296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).