1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea

C19H31N3O2 — CID 111505393

IUPAC1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C19H31N3O2/c1-16(10-12-23)13-20-19(24)21-14-18-9-5-6-11-22(18)15-17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3,(H2,20,21,24)
InChIKeyURVOIRSBVBOWPQ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.36
Rot. Bonds8

About 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111505393) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111505393
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C19H31N3O2/c1-16(10-12-23)13-20-19(24)21-14-18-9-5-6-11-22(18)15-17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3,(H2,20,21,24)
InChIKeyURVOIRSBVBOWPQ-UHFFFAOYSA-N
XLogP2.36
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506167
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111481676
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86856600
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111127376
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide
CID 96504371
1-[(1-benzylpiperidin-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122513
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111583751
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111505393) is 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NCC1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is URVOIRSBVBOWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(10-12-23)13-20-19(24)21-14-18-9-5-6-11-22(18)15-17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 333.48 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111505393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).