1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea

C20H25N3O2 — CID 126434205

IUPAC1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea
SMILESO=C(NC[C@]1(O)CCCNC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c24-19(22-15-20(25)12-7-13-21-14-20)23-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,21,25H,7,12-15H2,(H2,22,23,24)/t20-/m0/s1
InChIKeyPSZTVWBPWXEQHG-FQEVSTJZSA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds5

About 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea

1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea (PubChem CID 126434205) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea
PubChem CID126434205
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea
SMILESO=C(NC[C@]1(O)CCCNC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c24-19(22-15-20(25)12-7-13-21-14-20)23-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,21,25H,7,12-15H2,(H2,22,23,24)/t20-/m0/s1
InChIKeyPSZTVWBPWXEQHG-FQEVSTJZSA-N
XLogP2.19
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
N-benzhydryl-2-(1-hydroxycyclopentyl)acetamide
CID 111430201
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440803
3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
CID 125444851
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 65105279
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
CID 126447498
(3S)-3-(phenoxymethyl)piperidin-3-ol
CID 129366036
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110012921

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea?
The IUPAC name of 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea (CID 126434205) is 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea?
The canonical SMILES for 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea is O=C(NC[C@]1(O)CCCNC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea?
The InChIKey is PSZTVWBPWXEQHG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(22-15-20(25)12-7-13-21-14-20)23-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,21,25H,7,12-15H2,(H2,22,23,24)/t20-/m0/s1.
What are the key properties of 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea?
1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea is sourced from PubChem (CID 126434205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).