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

C14H29N3O2 — CID 111454418

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCN(CCNC(=O)NC(C)C(C)CO)CC1
InChIInChI=1S/C14H29N3O2/c1-11-4-7-17(8-5-11)9-6-15-14(19)16-13(3)12(2)10-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyPRNHFDMGLGIHAL-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.03
Rot. Bonds6

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

1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (PubChem CID 111454418) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
PubChem CID111454418
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCN(CCNC(=O)NC(C)C(C)CO)CC1
InChIInChI=1S/C14H29N3O2/c1-11-4-7-17(8-5-11)9-6-15-14(19)16-13(3)12(2)10-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyPRNHFDMGLGIHAL-UHFFFAOYSA-N
XLogP1.03
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 111504648
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
CID 111111407
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 111454454
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 79815246
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61266440
2-methyl-3-(2-thiomorpholin-4-ylethylcarbamoylamino)butanoic acid
CID 114173928
1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 87005504
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454649
(2R)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 103813586

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (CID 111454418) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is CC1CCN(CCNC(=O)NC(C)C(C)CO)CC1.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is PRNHFDMGLGIHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11-4-7-17(8-5-11)9-6-15-14(19)16-13(3)12(2)10-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 271.40 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 111454418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).