1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea

C18H22N4O — CID 10852461

IUPAC1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c23-18(21-17-8-4-5-11-19-17)20-16-9-12-22(13-10-16)14-15-6-2-1-3-7-15/h1-8,11,16H,9-10,12-14H2,(H2,19,20,21,23)
InChIKeyHHAUXZNBXXZIOV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.87
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea

1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea (PubChem CID 10852461) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea
PubChem CID10852461
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c23-18(21-17-8-4-5-11-19-17)20-16-9-12-22(13-10-16)14-15-6-2-1-3-7-15/h1-8,11,16H,9-10,12-14H2,(H2,19,20,21,23)
InChIKeyHHAUXZNBXXZIOV-UHFFFAOYSA-N
XLogP2.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea (CID 10852461) is 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea is O=C(Nc1ccccn1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea?
The InChIKey is HHAUXZNBXXZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(21-17-8-4-5-11-19-17)20-16-9-12-22(13-10-16)14-15-6-2-1-3-7-15/h1-8,11,16H,9-10,12-14H2,(H2,19,20,21,23).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea?
1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea has a molecular weight of 310.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 10852461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).