1-cyclohexyl-3-piperidin-4-ylurea

C12H23N3O — CID 1445163

IUPAC1-cyclohexyl-3-piperidin-4-ylurea
SMILESO=C(NC1CCCCC1)NC1CCNCC1
InChIInChI=1S/C12H23N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h10-11,13H,1-9H2,(H2,14,15,16)
InChIKeyKFISGQPZWHFTLU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds2

About 1-cyclohexyl-3-piperidin-4-ylurea

1-cyclohexyl-3-piperidin-4-ylurea (PubChem CID 1445163) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-piperidin-4-ylurea
PubChem CID1445163
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclohexyl-3-piperidin-4-ylurea
SMILESO=C(NC1CCCCC1)NC1CCNCC1
InChIInChI=1S/C12H23N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h10-11,13H,1-9H2,(H2,14,15,16)
InChIKeyKFISGQPZWHFTLU-UHFFFAOYSA-N
XLogP1.37
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-piperidin-4-ylurea?
The IUPAC name of 1-cyclohexyl-3-piperidin-4-ylurea (CID 1445163) is 1-cyclohexyl-3-piperidin-4-ylurea.
What is the SMILES notation for 1-cyclohexyl-3-piperidin-4-ylurea?
The canonical SMILES for 1-cyclohexyl-3-piperidin-4-ylurea is O=C(NC1CCCCC1)NC1CCNCC1.
What is the InChIKey of 1-cyclohexyl-3-piperidin-4-ylurea?
The InChIKey is KFISGQPZWHFTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h10-11,13H,1-9H2,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-piperidin-4-ylurea?
1-cyclohexyl-3-piperidin-4-ylurea has a molecular weight of 225.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-piperidin-4-ylurea is sourced from PubChem (CID 1445163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).