N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide

C20H31N3O2 — CID 56708001

IUPACN-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide
SMILESCc1cccc(N2CCC(N3CCC(CNC(=O)CO)C3)CC2)c1C
InChIInChI=1S/C20H31N3O2/c1-15-4-3-5-19(16(15)2)22-10-7-18(8-11-22)23-9-6-17(13-23)12-21-20(25)14-24/h3-5,17-18,24H,6-14H2,1-2H3,(H,21,25)
InChIKeyCNTGHYKZALJMKH-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.70
Rot. Bonds5

About N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide

N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide (PubChem CID 56708001) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide
PubChem CID56708001
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide
SMILESCc1cccc(N2CCC(N3CCC(CNC(=O)CO)C3)CC2)c1C
InChIInChI=1S/C20H31N3O2/c1-15-4-3-5-19(16(15)2)22-10-7-18(8-11-22)23-9-6-17(13-23)12-21-20(25)14-24/h3-5,17-18,24H,6-14H2,1-2H3,(H,21,25)
InChIKeyCNTGHYKZALJMKH-UHFFFAOYSA-N
XLogP1.70
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 122564074
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
3-[1-(2,3-dimethylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002593
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
(1S,5R,6S)-3-[1-(2,3-dimethylphenyl)piperidin-4-yl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137340702
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 71930081
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
CID 95189282

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide (CID 56708001) is N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide is Cc1cccc(N2CCC(N3CCC(CNC(=O)CO)C3)CC2)c1C.
What is the InChIKey of N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide?
The InChIKey is CNTGHYKZALJMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-4-3-5-19(16(15)2)22-10-7-18(8-11-22)23-9-6-17(13-23)12-21-20(25)14-24/h3-5,17-18,24H,6-14H2,1-2H3,(H,21,25).
What are the key properties of N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide?
N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide has a molecular weight of 345.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 56708001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).