3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C17H31N3O2 — CID 97348085

IUPAC3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESC[C@H](NC(=O)N(CCO)C1CC1)[C@@H]1CCCN(C2CCC2)C1
InChIInChI=1S/C17H31N3O2/c1-13(18-17(22)20(10-11-21)16-7-8-16)14-4-3-9-19(12-14)15-5-2-6-15/h13-16,21H,2-12H2,1H3,(H,18,22)/t13-,14+/m0/s1
InChIKeyVYIYFUJOHCZFBF-UONOGXRCSA-N
MW309.45 g/mol
LogP1.81
Rot. Bonds6

About 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 97348085) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID97348085
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESC[C@H](NC(=O)N(CCO)C1CC1)[C@@H]1CCCN(C2CCC2)C1
InChIInChI=1S/C17H31N3O2/c1-13(18-17(22)20(10-11-21)16-7-8-16)14-4-3-9-19(12-14)15-5-2-6-15/h13-16,21H,2-12H2,1H3,(H,18,22)/t13-,14+/m0/s1
InChIKeyVYIYFUJOHCZFBF-UONOGXRCSA-N
XLogP1.81
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea with MolForge

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Related Compounds

1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110028426
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 110028309
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 110028311
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide
CID 154775986
1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 110910922
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-carboxamide
CID 79159584
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 84599314
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 97348085) is 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is C[C@H](NC(=O)N(CCO)C1CC1)[C@@H]1CCCN(C2CCC2)C1.
What is the InChIKey of 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is VYIYFUJOHCZFBF-UONOGXRCSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13(18-17(22)20(10-11-21)16-7-8-16)14-4-3-9-19(12-14)15-5-2-6-15/h13-16,21H,2-12H2,1H3,(H,18,22)/t13-,14+/m0/s1.
What are the key properties of 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 309.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 97348085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).