1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea

C19H24N4O — CID 124563812

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
SMILESCc1cccnc1CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H24N4O/c1-15-7-5-11-20-18(15)13-21-19(24)22-16-8-6-12-23(14-16)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H2,21,22,24)/t16-/m1/s1
InChIKeyFIJABIAZOLIYBJ-MRXNPFEDSA-N
MW324.43 g/mol
LogP2.86
Rot. Bonds4

About 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea

1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea (PubChem CID 124563812) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
PubChem CID124563812
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
SMILESCc1cccnc1CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H24N4O/c1-15-7-5-11-20-18(15)13-21-19(24)22-16-8-6-12-23(14-16)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H2,21,22,24)/t16-/m1/s1
InChIKeyFIJABIAZOLIYBJ-MRXNPFEDSA-N
XLogP2.86
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea with MolForge

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Related Compounds

4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63309326
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95759860
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
1-[(3-methyl-2-pyridinyl)methyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea
CID 146140314
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea
CID 167871591
4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016458
(1-phenylpiperidin-3-yl)urea
CID 121416777
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea (CID 124563812) is 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea is Cc1cccnc1CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea?
The InChIKey is FIJABIAZOLIYBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-7-5-11-20-18(15)13-21-19(24)22-16-8-6-12-23(14-16)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H2,21,22,24)/t16-/m1/s1.
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea?
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea has a molecular weight of 324.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea is sourced from PubChem (CID 124563812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).