N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C19H31ClN2O3 — CID 163328451

IUPACN-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-5-14(2)20-19(22)15-8-10-21(11-9-15)13-16-6-7-17(23-3)12-18(16)24-4;/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,20,22);1H
InChIKeyIQJYNBMSXVIYNO-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.25
Rot. Bonds7

About N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 163328451) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID163328451
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC NameN-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-5-14(2)20-19(22)15-8-10-21(11-9-15)13-16-6-7-17(23-3)12-18(16)24-4;/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,20,22);1H
InChIKeyIQJYNBMSXVIYNO-UHFFFAOYSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3912331
1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 113002840
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 3599917
1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 133161823
1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 94024957

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 163328451) is N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is CCC(C)NC(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1.Cl.
What is the InChIKey of N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is IQJYNBMSXVIYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-5-14(2)20-19(22)15-8-10-21(11-9-15)13-16-6-7-17(23-3)12-18(16)24-4;/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,20,22);1H.
What are the key properties of N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 163328451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).