1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea

C15H31N3O2 — CID 111508109

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)NC(CCO)C(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-4-8-18-9-5-13(6-10-18)16-15(20)17-14(7-11-19)12(2)3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyMPNVCOAJQGORCS-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.57
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea (PubChem CID 111508109) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea
PubChem CID111508109
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)NC(CCO)C(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-4-8-18-9-5-13(6-10-18)16-15(20)17-14(7-11-19)12(2)3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyMPNVCOAJQGORCS-UHFFFAOYSA-N
XLogP1.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
CID 62710878
3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 81069420
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111504795
1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79256331
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea
CID 111509411
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea
CID 109390055
1-(3-ethylsulfanylcyclohexyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111751203
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea (CID 111508109) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)NC(CCO)C(C)C)CC1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is MPNVCOAJQGORCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-8-18-9-5-13(6-10-18)16-15(20)17-14(7-11-19)12(2)3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 111508109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).