[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea

C14H27N3O3 — CID 106837135

IUPAC[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(N)=O)C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C14H27N3O3/c1-9(2)8-12(16-14(15)20)13(19)17-6-4-11(5-7-17)10(3)18/h9-12,18H,4-8H2,1-3H3,(H3,15,16,20)
InChIKeyMQUJLESKMQTDAK-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.69
Rot. Bonds5

About [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea

[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea (PubChem CID 106837135) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
PubChem CID106837135
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(N)=O)C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C14H27N3O3/c1-9(2)8-12(16-14(15)20)13(19)17-6-4-11(5-7-17)10(3)18/h9-12,18H,4-8H2,1-3H3,(H3,15,16,20)
InChIKeyMQUJLESKMQTDAK-UHFFFAOYSA-N
XLogP0.69
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 62918442
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 112627501
(3R)-1-[2-(carbamoylamino)-4-methylpentanoyl]piperidine-3-carboxylic acid
CID 81119735
3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 106835868
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 112627448
1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144705
[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 31615823
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129410243
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 114779000
1-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95631526

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea (CID 106837135) is [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea is CC(C)CC(NC(N)=O)C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea?
The InChIKey is MQUJLESKMQTDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-9(2)8-12(16-14(15)20)13(19)17-6-4-11(5-7-17)10(3)18/h9-12,18H,4-8H2,1-3H3,(H3,15,16,20).
What are the key properties of [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea?
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea has a molecular weight of 285.39 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 106837135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).