1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea

C17H31N5O2 — CID 111507767

IUPAC1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
SMILESCCCC(CCO)CNC(=O)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C17H31N5O2/c1-3-5-14(7-9-23)10-18-17(24)20-15-6-4-8-22(12-15)16-11-19-21(2)13-16/h11,13-15,23H,3-10,12H2,1-2H3,(H2,18,20,24)
InChIKeyVXLXBHASXWHQMA-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.49
Rot. Bonds8

About 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea

1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea (PubChem CID 111507767) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
PubChem CID111507767
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
SMILESCCCC(CCO)CNC(=O)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C17H31N5O2/c1-3-5-14(7-9-23)10-18-17(24)20-15-6-4-8-22(12-15)16-11-19-21(2)13-16/h11,13-15,23H,3-10,12H2,1-2H3,(H2,18,20,24)
InChIKeyVXLXBHASXWHQMA-UHFFFAOYSA-N
XLogP1.49
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111751536
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide
CID 96569286
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
CID 119889326
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
2-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 119157214
1-cyclobutyl-2-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 119154152
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 126767612

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea (CID 111507767) is 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea is CCCC(CCO)CNC(=O)NC1CCCN(c2cnn(C)c2)C1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The InChIKey is VXLXBHASXWHQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-3-5-14(7-9-23)10-18-17(24)20-15-6-4-8-22(12-15)16-11-19-21(2)13-16/h11,13-15,23H,3-10,12H2,1-2H3,(H2,18,20,24).
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea has a molecular weight of 337.47 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea is sourced from PubChem (CID 111507767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).