1-(1-adamantyl)-3-piperidin-4-ylurea

C16H27N3O — CID 3221297

IUPAC1-(1-adamantyl)-3-piperidin-4-ylurea
SMILESO=C(NC1CCNCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O/c20-15(18-14-1-3-17-4-2-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14,17H,1-10H2,(H2,18,19,20)
InChIKeyNWWZZPCDHOXVSZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.01
Rot. Bonds2

About 1-(1-adamantyl)-3-piperidin-4-ylurea

1-(1-adamantyl)-3-piperidin-4-ylurea (PubChem CID 3221297) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-piperidin-4-ylurea
PubChem CID3221297
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(1-adamantyl)-3-piperidin-4-ylurea
SMILESO=C(NC1CCNCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O/c20-15(18-14-1-3-17-4-2-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14,17H,1-10H2,(H2,18,19,20)
InChIKeyNWWZZPCDHOXVSZ-UHFFFAOYSA-N
XLogP2.01
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-piperidin-4-ylurea?
The IUPAC name of 1-(1-adamantyl)-3-piperidin-4-ylurea (CID 3221297) is 1-(1-adamantyl)-3-piperidin-4-ylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-piperidin-4-ylurea?
The canonical SMILES for 1-(1-adamantyl)-3-piperidin-4-ylurea is O=C(NC1CCNCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-piperidin-4-ylurea?
The InChIKey is NWWZZPCDHOXVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c20-15(18-14-1-3-17-4-2-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14,17H,1-10H2,(H2,18,19,20).
What are the key properties of 1-(1-adamantyl)-3-piperidin-4-ylurea?
1-(1-adamantyl)-3-piperidin-4-ylurea has a molecular weight of 277.41 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-piperidin-4-ylurea is sourced from PubChem (CID 3221297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).