1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea

C17H25N3O4 — CID 95772650

IUPAC1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)NC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H25N3O4/c1-12(11-24-2)18-17(23)19-13-7-9-20(10-8-13)16(22)14-5-3-4-6-15(14)21/h3-6,12-13,21H,7-11H2,1-2H3,(H2,18,19,23)/t12-/m1/s1
InChIKeyKPYVUSVDGLUIAH-GFCCVEGCSA-N
MW335.40 g/mol
LogP1.33
Rot. Bonds5

About 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea

1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea (PubChem CID 95772650) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
PubChem CID95772650
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)NC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H25N3O4/c1-12(11-24-2)18-17(23)19-13-7-9-20(10-8-13)16(22)14-5-3-4-6-15(14)21/h3-6,12-13,21H,7-11H2,1-2H3,(H2,18,19,23)/t12-/m1/s1
InChIKeyKPYVUSVDGLUIAH-GFCCVEGCSA-N
XLogP1.33
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108564395
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95762985
1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
CID 166315592
methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565841
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51130240
4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 127294442
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 82701460
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea (CID 95772650) is 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea is COC[C@@H](C)NC(=O)NC1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The InChIKey is KPYVUSVDGLUIAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(11-24-2)18-17(23)19-13-7-9-20(10-8-13)16(22)14-5-3-4-6-15(14)21/h3-6,12-13,21H,7-11H2,1-2H3,(H2,18,19,23)/t12-/m1/s1.
What are the key properties of 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea?
1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea has a molecular weight of 335.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 95772650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).