1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea

C18H20N4O2 — CID 97078513

IUPAC1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-c2cccnc2)cc1)N[C@@H]1CCCNC1=O
InChIInChI=1S/C18H20N4O2/c23-17-16(4-2-10-20-17)22-18(24)21-11-13-5-7-14(8-6-13)15-3-1-9-19-12-15/h1,3,5-9,12,16H,2,4,10-11H2,(H,20,23)(H2,21,22,24)/t16-/m1/s1
InChIKeyVAYQCNRTHCNLRZ-MRXNPFEDSA-N
MW324.38 g/mol
LogP1.83
Rot. Bonds4

About 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea

1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea (PubChem CID 97078513) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
PubChem CID97078513
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-c2cccnc2)cc1)N[C@@H]1CCCNC1=O
InChIInChI=1S/C18H20N4O2/c23-17-16(4-2-10-20-17)22-18(24)21-11-13-5-7-14(8-6-13)15-3-1-9-19-12-15/h1,3,5-9,12,16H,2,4,10-11H2,(H,20,23)(H2,21,22,24)/t16-/m1/s1
InChIKeyVAYQCNRTHCNLRZ-MRXNPFEDSA-N
XLogP1.83
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea?
The IUPAC name of 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea (CID 97078513) is 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea?
The canonical SMILES for 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea is O=C(NCc1ccc(-c2cccnc2)cc1)N[C@@H]1CCCNC1=O.
What is the InChIKey of 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea?
The InChIKey is VAYQCNRTHCNLRZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17-16(4-2-10-20-17)22-18(24)21-11-13-5-7-14(8-6-13)15-3-1-9-19-12-15/h1,3,5-9,12,16H,2,4,10-11H2,(H,20,23)(H2,21,22,24)/t16-/m1/s1.
What are the key properties of 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea?
1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea has a molecular weight of 324.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-oxopiperidin-3-yl]-3-[(4-pyridin-3-ylphenyl)methyl]urea is sourced from PubChem (CID 97078513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).