1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea

C13H25N3O2 — CID 95339356

IUPAC1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
SMILESCCCNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C13H25N3O2/c1-4-8-14-13(18)15-11(3)12(17)16-9-6-5-7-10(16)2/h10-11H,4-9H2,1-3H3,(H2,14,15,18)/t10-,11+/m0/s1
InChIKeyPBWVGWXMVMTFSM-WDEREUQCSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds4

About 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea

1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea (PubChem CID 95339356) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea.

Molecular Properties

Compound Name1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
PubChem CID95339356
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
SMILESCCCNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C13H25N3O2/c1-4-8-14-13(18)15-11(3)12(17)16-9-6-5-7-10(16)2/h10-11H,4-9H2,1-3H3,(H2,14,15,18)/t10-,11+/m0/s1
InChIKeyPBWVGWXMVMTFSM-WDEREUQCSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(3-methylsulfonylpropyl)urea
CID 95292527
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-(pyridin-4-ylmethyl)urea
CID 95330368
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242775
1-[[4-(methoxymethyl)phenyl]methyl]-3-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95382868
2-(methylamino)-N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 123953640
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
1-[[3-(methoxymethyl)phenyl]methyl]-3-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95383411
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 113229167
1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine
CID 51108067

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea?
The IUPAC name of 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea (CID 95339356) is 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea.
What is the SMILES notation for 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea?
The canonical SMILES for 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea is CCCNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea?
The InChIKey is PBWVGWXMVMTFSM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-8-14-13(18)15-11(3)12(17)16-9-6-5-7-10(16)2/h10-11H,4-9H2,1-3H3,(H2,14,15,18)/t10-,11+/m0/s1.
What are the key properties of 1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea?
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea has a molecular weight of 255.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 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-propylurea is sourced from PubChem (CID 95339356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).