2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide

C24H28N2O3 — CID 25303260

IUPAC2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@H]2CCCN(CC#Cc3ccccc3)C2)c1OC
InChIInChI=1S/C24H28N2O3/c1-28-22-14-6-13-21(23(22)29-2)24(27)25-17-20-12-8-16-26(18-20)15-7-11-19-9-4-3-5-10-19/h3-6,9-10,13-14,20H,8,12,15-18H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyZYNMNFWMLBGONJ-HXUWFJFHSA-N
MW392.50 g/mol
LogP3.20
Rot. Bonds6

About 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide

2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide (PubChem CID 25303260) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
PubChem CID25303260
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@H]2CCCN(CC#Cc3ccccc3)C2)c1OC
InChIInChI=1S/C24H28N2O3/c1-28-22-14-6-13-21(23(22)29-2)24(27)25-17-20-12-8-16-26(18-20)15-7-11-19-9-4-3-5-10-19/h3-6,9-10,13-14,20H,8,12,15-18H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyZYNMNFWMLBGONJ-HXUWFJFHSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide
CID 51332507
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
CID 25297300
2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
CID 25374410
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
CID 23723921
2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
CID 45212677
methyl (3S)-1-(3-phenylprop-2-ynyl)piperidine-3-carboxylate
CID 115537498
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine
CID 63848832
N-[[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dimethoxybenzamide
CID 7451565
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2,3-dimethoxybenzamide
CID 90550033
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide (CID 25303260) is 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide is COc1cccc(C(=O)NC[C@H]2CCCN(CC#Cc3ccccc3)C2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is ZYNMNFWMLBGONJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-22-14-6-13-21(23(22)29-2)24(27)25-17-20-12-8-16-26(18-20)15-7-11-19-9-4-3-5-10-19/h3-6,9-10,13-14,20H,8,12,15-18H2,1-2H3,(H,25,27)/t20-/m1/s1.
What are the key properties of 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide?
2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 25303260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).