[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea

C8H15N3O3 — CID 177272345

IUPAC[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
SMILESNC(=O)N[C@@H]1CCCN(C(=O)CO)C1
InChIInChI=1S/C8H15N3O3/c9-8(14)10-6-2-1-3-11(4-6)7(13)5-12/h6,12H,1-5H2,(H3,9,10,14)/t6-/m1/s1
InChIKeyXEJTZTLEHNEALN-ZCFIWIBFSA-N
MW201.23 g/mol
LogP-1.36
Rot. Bonds2

About [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea

[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea (PubChem CID 177272345) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
PubChem CID177272345
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
SMILESNC(=O)N[C@@H]1CCCN(C(=O)CO)C1
InChIInChI=1S/C8H15N3O3/c9-8(14)10-6-2-1-3-11(4-6)7(13)5-12/h6,12H,1-5H2,(H3,9,10,14)/t6-/m1/s1
InChIKeyXEJTZTLEHNEALN-ZCFIWIBFSA-N
XLogP-1.36
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
[(3R)-1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]urea
CID 177272408
N-[(3R)-1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]acetamide
CID 124516868
N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 119761594
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea?
The IUPAC name of [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea (CID 177272345) is [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea.
What is the SMILES notation for [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea?
The canonical SMILES for [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea is NC(=O)N[C@@H]1CCCN(C(=O)CO)C1.
What is the InChIKey of [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea?
The InChIKey is XEJTZTLEHNEALN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-8(14)10-6-2-1-3-11(4-6)7(13)5-12/h6,12H,1-5H2,(H3,9,10,14)/t6-/m1/s1.
What are the key properties of [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea?
[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea has a molecular weight of 201.23 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea is sourced from PubChem (CID 177272345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).