1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea

C20H33N3O2 — CID 111422903

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
SMILESCCC(O)(CC)CNC(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C20H33N3O2/c1-4-20(25,5-2)15-21-19(24)22-18-11-13-23(14-12-18)16(3)17-9-7-6-8-10-17/h6-10,16,18,25H,4-5,11-15H2,1-3H3,(H2,21,22,24)
InChIKeyWCJQSRLNKFQDDT-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.06
Rot. Bonds7

About 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea

1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea (PubChem CID 111422903) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
PubChem CID111422903
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
SMILESCCC(O)(CC)CNC(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C20H33N3O2/c1-4-20(25,5-2)15-21-19(24)22-18-11-13-23(14-12-18)16(3)17-9-7-6-8-10-17/h6-10,16,18,25H,4-5,11-15H2,1-3H3,(H2,21,22,24)
InChIKeyWCJQSRLNKFQDDT-UHFFFAOYSA-N
XLogP3.06
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101
1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 119879171
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508133
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
1-(2-ethyl-2-hydroxybutyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136579762
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 111444164
1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea
CID 136584213
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea (CID 111422903) is 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea is CCC(O)(CC)CNC(=O)NC1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea?
The InChIKey is WCJQSRLNKFQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-20(25,5-2)15-21-19(24)22-18-11-13-23(14-12-18)16(3)17-9-7-6-8-10-17/h6-10,16,18,25H,4-5,11-15H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea?
1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea has a molecular weight of 347.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 111422903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).