N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide

C18H25N3O2 — CID 136538834

IUPACN-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide
SMILESCC(=O)N1CCCC(CNC(=O)N2Cc3ccccc3C2C)C1
InChIInChI=1S/C18H25N3O2/c1-13-17-8-4-3-7-16(17)12-21(13)18(23)19-10-15-6-5-9-20(11-15)14(2)22/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,19,23)
InChIKeyKPRSRWADLLRMAQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.53
Rot. Bonds2

About N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide

N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide (PubChem CID 136538834) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide
PubChem CID136538834
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide
SMILESCC(=O)N1CCCC(CNC(=O)N2Cc3ccccc3C2C)C1
InChIInChI=1S/C18H25N3O2/c1-13-17-8-4-3-7-16(17)12-21(13)18(23)19-10-15-6-5-9-20(11-15)14(2)22/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,19,23)
InChIKeyKPRSRWADLLRMAQ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
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(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
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CID 154869112
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(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide (CID 136538834) is N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide is CC(=O)N1CCCC(CNC(=O)N2Cc3ccccc3C2C)C1.
What is the InChIKey of N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is KPRSRWADLLRMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-17-8-4-3-7-16(17)12-21(13)18(23)19-10-15-6-5-9-20(11-15)14(2)22/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,19,23).
What are the key properties of N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide?
N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-3-yl)methyl]-1-methyl-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 136538834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).