1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea

C18H27N3O2 — CID 111976343

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea
SMILESCC(CO)(NC(=O)Nc1cccc(N2CCCCC2)c1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-18(13-22,14-8-9-14)20-17(23)19-15-6-5-7-16(12-15)21-10-3-2-4-11-21/h5-7,12,14,22H,2-4,8-11,13H2,1H3,(H2,19,20,23)
InChIKeyGPJLAHZILXWINM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea (PubChem CID 111976343) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea
PubChem CID111976343
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea
SMILESCC(CO)(NC(=O)Nc1cccc(N2CCCCC2)c1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-18(13-22,14-8-9-14)20-17(23)19-15-6-5-7-16(12-15)21-10-3-2-4-11-21/h5-7,12,14,22H,2-4,8-11,13H2,1H3,(H2,19,20,23)
InChIKeyGPJLAHZILXWINM-UHFFFAOYSA-N
XLogP2.96
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]urea
CID 71858476
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
tert-butyl (2S)-2-[(3-pyrrolidin-1-ylphenyl)carbamoylamino]propanoate
CID 122149276
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea (CID 111976343) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea is CC(CO)(NC(=O)Nc1cccc(N2CCCCC2)c1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea?
The InChIKey is GPJLAHZILXWINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(13-22,14-8-9-14)20-17(23)19-15-6-5-7-16(12-15)21-10-3-2-4-11-21/h5-7,12,14,22H,2-4,8-11,13H2,1H3,(H2,19,20,23).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea has a molecular weight of 317.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 111976343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).