2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide

C22H27N3O4 — CID 45212677

IUPAC2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CCCN(C(=O)Cc3ccccn3)C2)c1OC
InChIInChI=1S/C22H27N3O4/c1-28-19-10-5-9-18(21(19)29-2)22(27)24-14-16-7-6-12-25(15-16)20(26)13-17-8-3-4-11-23-17/h3-5,8-11,16H,6-7,12-15H2,1-2H3,(H,24,27)
InChIKeyXBTZZYCBDXYQAX-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.31
Rot. Bonds7

About 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide

2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide (PubChem CID 45212677) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
PubChem CID45212677
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CCCN(C(=O)Cc3ccccn3)C2)c1OC
InChIInChI=1S/C22H27N3O4/c1-28-19-10-5-9-18(21(19)29-2)22(27)24-14-16-7-6-12-25(15-16)20(26)13-17-8-3-4-11-23-17/h3-5,8-11,16H,6-7,12-15H2,1-2H3,(H,24,27)
InChIKeyXBTZZYCBDXYQAX-UHFFFAOYSA-N
XLogP2.31
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
CID 23723921
2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
CID 106813448
3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95194083
1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809810
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
CID 25297300
2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
CID 25303260
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
CID 25374410

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide (CID 45212677) is 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide is COc1cccc(C(=O)NCC2CCCN(C(=O)Cc3ccccn3)C2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is XBTZZYCBDXYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-19-10-5-9-18(21(19)29-2)22(27)24-14-16-7-6-12-25(15-16)20(26)13-17-8-3-4-11-23-17/h3-5,8-11,16H,6-7,12-15H2,1-2H3,(H,24,27).
What are the key properties of 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide?
2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 45212677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).