N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide

C24H29BrN2O4 — CID 108935464

IUPACN-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)CCc3ccccc3Br)CC2)cc1OC
InChIInChI=1S/C24H29BrN2O4/c1-30-21-9-7-19(15-22(21)31-2)24(29)26-16-17-11-13-27(14-12-17)23(28)10-8-18-5-3-4-6-20(18)25/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,29)
InChIKeyLVCIPMCONPALBP-UHFFFAOYSA-N
MW489.41 g/mol
LogP4.07
Rot. Bonds8

About N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide

N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide (PubChem CID 108935464) has the molecular formula C24H29BrN2O4 and a molecular weight of 489.41 g/mol. Its IUPAC name is N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
PubChem CID108935464
Molecular FormulaC24H29BrN2O4
Molecular Weight489.41 g/mol
Exact Mass488.13
IUPAC NameN-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)CCc3ccccc3Br)CC2)cc1OC
InChIInChI=1S/C24H29BrN2O4/c1-30-21-9-7-19(15-22(21)31-2)24(29)26-16-17-11-13-27(14-12-17)23(28)10-8-18-5-3-4-6-20(18)25/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,29)
InChIKeyLVCIPMCONPALBP-UHFFFAOYSA-N
XLogP4.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
CID 108935442
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647509
N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924781
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935286
N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924721
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935320

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide (CID 108935464) is N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CCN(C(=O)CCc3ccccc3Br)CC2)cc1OC.
What is the InChIKey of N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is LVCIPMCONPALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O4/c1-30-21-9-7-19(15-22(21)31-2)24(29)26-16-17-11-13-27(14-12-17)23(28)10-8-18-5-3-4-6-20(18)25/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 489.41 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108935464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).