3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea

C16H31N3O — CID 106629886

IUPAC3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
SMILESCC(C)N(CC1CCCNC1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(2)19(12-14-7-6-10-17-11-14)16(20)18-15-8-4-3-5-9-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyKVXGLEVHGPGJBL-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.74
Rot. Bonds4

About 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea

3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea (PubChem CID 106629886) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
PubChem CID106629886
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
SMILESCC(C)N(CC1CCCNC1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(2)19(12-14-7-6-10-17-11-14)16(20)18-15-8-4-3-5-9-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyKVXGLEVHGPGJBL-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446
N-cyclopentyl-2-[methyl(piperidin-3-ylmethyl)amino]propanamide
CID 106636337
3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613201
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
N-cyclohexyl-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636311
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 106828147
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-cyclohexyl-2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetamide
CID 106639591
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 106629148
N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 106628870
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea?
The IUPAC name of 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea (CID 106629886) is 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea?
The canonical SMILES for 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea is CC(C)N(CC1CCCNC1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea?
The InChIKey is KVXGLEVHGPGJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)19(12-14-7-6-10-17-11-14)16(20)18-15-8-4-3-5-9-15/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea?
3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea has a molecular weight of 281.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea is sourced from PubChem (CID 106629886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).