N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide

C21H30N2O4 — CID 108935484

IUPACN-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)C3CCCC3)CC2)cc1OC
InChIInChI=1S/C21H30N2O4/c1-26-18-8-7-17(13-19(18)27-2)20(24)22-14-15-9-11-23(12-10-15)21(25)16-5-3-4-6-16/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,22,24)
InChIKeyNAJLDRZQLGYYCD-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.86
Rot. Bonds6

About N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide

N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide (PubChem CID 108935484) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
PubChem CID108935484
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)C3CCCC3)CC2)cc1OC
InChIInChI=1S/C21H30N2O4/c1-26-18-8-7-17(13-19(18)27-2)20(24)22-14-15-9-11-23(12-10-15)21(25)16-5-3-4-6-16/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,22,24)
InChIKeyNAJLDRZQLGYYCD-UHFFFAOYSA-N
XLogP2.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935278
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935320
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide (CID 108935484) is N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CCN(C(=O)C3CCCC3)CC2)cc1OC.
What is the InChIKey of N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is NAJLDRZQLGYYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-26-18-8-7-17(13-19(18)27-2)20(24)22-14-15-9-11-23(12-10-15)21(25)16-5-3-4-6-16/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 374.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108935484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).