1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea

C19H29N3O2 — CID 111450416

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESO=C(NCC(CCO)c1ccccc1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C19H29N3O2/c23-13-10-16(15-4-2-1-3-5-15)14-20-19(24)21-17-8-11-22(12-9-17)18-6-7-18/h1-5,16-18,23H,6-14H2,(H2,20,21,24)
InChIKeyGTRMVQFHJJMJMC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.08
Rot. Bonds7

About 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea

1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea (PubChem CID 111450416) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
PubChem CID111450416
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESO=C(NCC(CCO)c1ccccc1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C19H29N3O2/c23-13-10-16(15-4-2-1-3-5-15)14-20-19(24)21-17-8-11-22(12-9-17)18-6-7-18/h1-5,16-18,23H,6-14H2,(H2,20,21,24)
InChIKeyGTRMVQFHJJMJMC-UHFFFAOYSA-N
XLogP2.08
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111450418
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
1-cyclopropyl-3-(2,3-diphenylpropyl)urea
CID 110307425
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111455877
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111751536
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
CID 111450668
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111450528
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
CID 129467437
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069360

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea (CID 111450416) is 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea is O=C(NCC(CCO)c1ccccc1)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea?
The InChIKey is GTRMVQFHJJMJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-13-10-16(15-4-2-1-3-5-15)14-20-19(24)21-17-8-11-22(12-9-17)18-6-7-18/h1-5,16-18,23H,6-14H2,(H2,20,21,24).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea?
1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea has a molecular weight of 331.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea is sourced from PubChem (CID 111450416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).