3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

C19H37N3O2 — CID 75379635

IUPAC3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)NC1CCN(CC2CCCCC2)CC1)C(C)C
InChIInChI=1S/C19H37N3O2/c1-15(2)22(13-16(3)23)19(24)20-18-9-11-21(12-10-18)14-17-7-5-4-6-8-17/h15-18,23H,4-14H2,1-3H3,(H,20,24)
InChIKeyUBBAVLRWGXMBGD-UHFFFAOYSA-N
MW339.52 g/mol
LogP2.83
Rot. Bonds6

About 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 75379635) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
PubChem CID75379635
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)NC1CCN(CC2CCCCC2)CC1)C(C)C
InChIInChI=1S/C19H37N3O2/c1-15(2)22(13-16(3)23)19(24)20-18-9-11-21(12-10-18)14-17-7-5-4-6-8-17/h15-18,23H,4-14H2,1-3H3,(H,20,24)
InChIKeyUBBAVLRWGXMBGD-UHFFFAOYSA-N
XLogP2.83
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea (CID 75379635) is 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea is CC(O)CN(C(=O)NC1CCN(CC2CCCCC2)CC1)C(C)C.
What is the InChIKey of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is UBBAVLRWGXMBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-15(2)22(13-16(3)23)19(24)20-18-9-11-21(12-10-18)14-17-7-5-4-6-8-17/h15-18,23H,4-14H2,1-3H3,(H,20,24).
What are the key properties of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 339.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 75379635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).