1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea

C19H33N5O — CID 56793702

IUPAC1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea
SMILESCCc1cc(CNC(=O)NC2CCN(CC3CCCCC3)CC2)[nH]n1
InChIInChI=1S/C19H33N5O/c1-2-16-12-18(23-22-16)13-20-19(25)21-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h12,15,17H,2-11,13-14H2,1H3,(H,22,23)(H2,20,21,25)
InChIKeyQSQFBOPIFJPTBD-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.82
Rot. Bonds6

About 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea

1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea (PubChem CID 56793702) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea
PubChem CID56793702
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea
SMILESCCc1cc(CNC(=O)NC2CCN(CC3CCCCC3)CC2)[nH]n1
InChIInChI=1S/C19H33N5O/c1-2-16-12-18(23-22-16)13-20-19(25)21-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h12,15,17H,2-11,13-14H2,1H3,(H,22,23)(H2,20,21,25)
InChIKeyQSQFBOPIFJPTBD-UHFFFAOYSA-N
XLogP2.82
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea (CID 56793702) is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea is CCc1cc(CNC(=O)NC2CCN(CC3CCCCC3)CC2)[nH]n1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea?
The InChIKey is QSQFBOPIFJPTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-2-16-12-18(23-22-16)13-20-19(25)21-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h12,15,17H,2-11,13-14H2,1H3,(H,22,23)(H2,20,21,25).
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea?
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea has a molecular weight of 347.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]urea is sourced from PubChem (CID 56793702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).