1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

C16H29N5O2 — CID 111458030

IUPAC1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCC(C)(O)c2cnn(C)c2)C1
InChIInChI=1S/C16H29N5O2/c1-13-5-4-7-21(10-13)8-6-17-15(22)18-12-16(2,23)14-9-19-20(3)11-14/h9,11,13,23H,4-8,10,12H2,1-3H3,(H2,17,18,22)
InChIKeyLIXVHABOOQVQKS-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.66
Rot. Bonds6

About 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (PubChem CID 111458030) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
PubChem CID111458030
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCC(C)(O)c2cnn(C)c2)C1
InChIInChI=1S/C16H29N5O2/c1-13-5-4-7-21(10-13)8-6-17-15(22)18-12-16(2,23)14-9-19-20(3)11-14/h9,11,13,23H,4-8,10,12H2,1-3H3,(H2,17,18,22)
InChIKeyLIXVHABOOQVQKS-UHFFFAOYSA-N
XLogP0.66
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111459092
1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 71972715
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111459095
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458062
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
1-[2-(4-ethylphenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458114
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111458023
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (CID 111458030) is 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is CC1CCCN(CCNC(=O)NCC(C)(O)c2cnn(C)c2)C1.
What is the InChIKey of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is LIXVHABOOQVQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-13-5-4-7-21(10-13)8-6-17-15(22)18-12-16(2,23)14-9-19-20(3)11-14/h9,11,13,23H,4-8,10,12H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 323.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 111458030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).