1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea

C22H34N4O2 — CID 86904655

IUPAC1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(OCC2CC2)nc1)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C22H34N4O2/c27-22(24-14-18-10-11-21(23-13-18)28-16-17-8-9-17)25-19-5-4-12-26(15-19)20-6-2-1-3-7-20/h10-11,13,17,19-20H,1-9,12,14-16H2,(H2,24,25,27)
InChIKeyJCMONDUXQJYOAX-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.47
Rot. Bonds7

About 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea

1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea (PubChem CID 86904655) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
PubChem CID86904655
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(OCC2CC2)nc1)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C22H34N4O2/c27-22(24-14-18-10-11-21(23-13-18)28-16-17-8-9-17)25-19-5-4-12-26(15-19)20-6-2-1-3-7-20/h10-11,13,17,19-20H,1-9,12,14-16H2,(H2,24,25,27)
InChIKeyJCMONDUXQJYOAX-UHFFFAOYSA-N
XLogP3.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea (CID 86904655) is 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea is O=C(NCc1ccc(OCC2CC2)nc1)NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea?
The InChIKey is JCMONDUXQJYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c27-22(24-14-18-10-11-21(23-13-18)28-16-17-8-9-17)25-19-5-4-12-26(15-19)20-6-2-1-3-7-20/h10-11,13,17,19-20H,1-9,12,14-16H2,(H2,24,25,27).
What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea?
1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea has a molecular weight of 386.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 86904655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).