1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea

C16H24N4O2 — CID 95330368

IUPAC1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1ccncc1)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C16H24N4O2/c1-12-5-3-4-10-20(12)15(21)13(2)19-16(22)18-11-14-6-8-17-9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,18,19,22)/t12-,13+/m0/s1
InChIKeyUVELBLCSSQODNX-QWHCGFSZSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds4

About 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea

1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 95330368) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea
PubChem CID95330368
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1ccncc1)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C16H24N4O2/c1-12-5-3-4-10-20(12)15(21)13(2)19-16(22)18-11-14-6-8-17-9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,18,19,22)/t12-,13+/m0/s1
InChIKeyUVELBLCSSQODNX-QWHCGFSZSA-N
XLogP1.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea with MolForge

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Related Compounds

1-[[4-(methoxymethyl)phenyl]methyl]-3-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95382868
1-[[3-(methoxymethyl)phenyl]methyl]-3-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95383411
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242775
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
CID 95339356
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95285970
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(3-methylsulfonylpropyl)urea
CID 95292527
(2S)-2-[[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]carbamoylamino]-2-phenylacetamide
CID 95338642
benzyl N-[(2S)-1-oxo-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-2-yl]carbamate
CID 44756126
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide
CID 95612434

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea (CID 95330368) is 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea is C[C@@H](NC(=O)NCc1ccncc1)C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is UVELBLCSSQODNX-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-5-3-4-10-20(12)15(21)13(2)19-16(22)18-11-14-6-8-17-9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,18,19,22)/t12-,13+/m0/s1.
What are the key properties of 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea?
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 304.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 95330368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).