1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride

C25H33ClN2O3 — CID 171667520

IUPAC1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1CN1CCC(C(=O)N(C)Cc2ccc3c(c2)CC(C)O3)CC1.Cl
InChIInChI=1S/C25H32N2O3.ClH/c1-18-14-22-15-19(8-9-24(22)30-18)16-26(2)25(28)20-10-12-27(13-11-20)17-21-6-4-5-7-23(21)29-3;/h4-9,15,18,20H,10-14,16-17H2,1-3H3;1H
InChIKeyFZANMBVUBNQADY-UHFFFAOYSA-N
MW445.00 g/mol
LogP4.31
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride

1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 171667520) has the molecular formula C25H33ClN2O3 and a molecular weight of 445.00 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID171667520
Molecular FormulaC25H33ClN2O3
Molecular Weight445.00 g/mol
Exact Mass444.22
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1CN1CCC(C(=O)N(C)Cc2ccc3c(c2)CC(C)O3)CC1.Cl
InChIInChI=1S/C25H32N2O3.ClH/c1-18-14-22-15-19(8-9-24(22)30-18)16-26(2)25(28)20-10-12-27(13-11-20)17-21-6-4-5-7-23(21)29-3;/h4-9,15,18,20H,10-14,16-17H2,1-3H3;1H
InChIKeyFZANMBVUBNQADY-UHFFFAOYSA-N
XLogP4.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.00
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
CID 46977744
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607
N-benzyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3994256
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,3-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1071409
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 92584798
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143493
N-[(3,4-dimethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 38150104
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328069
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30137323
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 43818752

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride (CID 171667520) is 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride is COc1ccccc1CN1CCC(C(=O)N(C)Cc2ccc3c(c2)CC(C)O3)CC1.Cl.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is FZANMBVUBNQADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3.ClH/c1-18-14-22-15-19(8-9-24(22)30-18)16-26(2)25(28)20-10-12-27(13-11-20)17-21-6-4-5-7-23(21)29-3;/h4-9,15,18,20H,10-14,16-17H2,1-3H3;1H.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride?
1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 445.00 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 171667520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).