N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide

C18H25N3O2 — CID 95612434

IUPACN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESC[C@H](NC(=O)N1Cc2ccccc2C1)C(=O)N1CCCC[C@H]1C
InChIInChI=1S/C18H25N3O2/c1-13-7-5-6-10-21(13)17(22)14(2)19-18(23)20-11-15-8-3-4-9-16(15)12-20/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyWYZGMWCICZEIGM-KGLIPLIRSA-N
MW315.42 g/mol
LogP2.50
Rot. Bonds2

About N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide

N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 95612434) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID95612434
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESC[C@H](NC(=O)N1Cc2ccccc2C1)C(=O)N1CCCC[C@H]1C
InChIInChI=1S/C18H25N3O2/c1-13-7-5-6-10-21(13)17(22)14(2)19-18(23)20-11-15-8-3-4-9-16(15)12-20/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyWYZGMWCICZEIGM-KGLIPLIRSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]carbamoylamino]-2-phenylacetamide
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1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
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1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
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methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
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1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide (CID 95612434) is N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide is C[C@H](NC(=O)N1Cc2ccccc2C1)C(=O)N1CCCC[C@H]1C.
What is the InChIKey of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is WYZGMWCICZEIGM-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-5-6-10-21(13)17(22)14(2)19-18(23)20-11-15-8-3-4-9-16(15)12-20/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,19,23)/t13-,14+/m1/s1.
What are the key properties of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide?
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 95612434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).