3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide

C22H27N3O3 — CID 16606497

IUPAC3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc(OC)c1OC
InChIInChI=1S/C22H27N3O3/c1-4-8-16-13-17(14-19(27-2)21(16)28-3)22(26)24-18-9-10-20(23-15-18)25-11-6-5-7-12-25/h4,8-10,13-15H,5-7,11-12H2,1-3H3,(H,24,26)/b8-4+
InChIKeySUZSTVMHUCDEFB-XBXARRHUSA-N
MW381.48 g/mol
LogP4.37
Rot. Bonds6

About 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide

3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide (PubChem CID 16606497) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide
PubChem CID16606497
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc(OC)c1OC
InChIInChI=1S/C22H27N3O3/c1-4-8-16-13-17(14-19(27-2)21(16)28-3)22(26)24-18-9-10-20(23-15-18)25-11-6-5-7-12-25/h4,8-10,13-15H,5-7,11-12H2,1-3H3,(H,24,26)/b8-4+
InChIKeySUZSTVMHUCDEFB-XBXARRHUSA-N
XLogP4.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 25417186
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-(6-piperidin-1-yl-3-pyridinyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17446568
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55483903
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24590411
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide (CID 16606497) is 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide is C/C=C/c1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide?
The InChIKey is SUZSTVMHUCDEFB-XBXARRHUSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-8-16-13-17(14-19(27-2)21(16)28-3)22(26)24-18-9-10-20(23-15-18)25-11-6-5-7-12-25/h4,8-10,13-15H,5-7,11-12H2,1-3H3,(H,24,26)/b8-4+.
What are the key properties of 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide?
3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide is sourced from PubChem (CID 16606497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).