1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea

C17H28N4O2 — CID 110922221

IUPAC1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCCC(CO)NC(=O)NC1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C17H28N4O2/c1-2-15(13-22)19-17(23)20-16-6-11-21(12-7-16)10-5-14-3-8-18-9-4-14/h3-4,8-9,15-16,22H,2,5-7,10-13H2,1H3,(H2,19,20,23)
InChIKeyXRJLFQBSUQNWFL-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.16
Rot. Bonds7

About 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea

1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea (PubChem CID 110922221) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
PubChem CID110922221
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCCC(CO)NC(=O)NC1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C17H28N4O2/c1-2-15(13-22)19-17(23)20-16-6-11-21(12-7-16)10-5-14-3-8-18-9-4-14/h3-4,8-9,15-16,22H,2,5-7,10-13H2,1H3,(H2,19,20,23)
InChIKeyXRJLFQBSUQNWFL-UHFFFAOYSA-N
XLogP1.16
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 51105910
5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119043018
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 56930892
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea
CID 109390055
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea (CID 110922221) is 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea is CCC(CO)NC(=O)NC1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea?
The InChIKey is XRJLFQBSUQNWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-15(13-22)19-17(23)20-16-6-11-21(12-7-16)10-5-14-3-8-18-9-4-14/h3-4,8-9,15-16,22H,2,5-7,10-13H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea?
1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea has a molecular weight of 320.44 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 110922221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).