(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

C19H29BrN2O3 — CID 1069661

IUPAC(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(Br)c(OC)cc2OC)C1
InChIInChI=1S/C19H29BrN2O3/c1-5-22(6-2)19(23)14-8-7-9-21(12-14)13-15-10-16(20)18(25-4)11-17(15)24-3/h10-11,14H,5-9,12-13H2,1-4H3/t14-/m1/s1
InChIKeyRXDPONQDDAGSEL-CQSZACIVSA-N
MW413.36 g/mol
LogP3.55
Rot. Bonds7

About (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 1069661) has the molecular formula C19H29BrN2O3 and a molecular weight of 413.36 g/mol. Its IUPAC name is (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID1069661
Molecular FormulaC19H29BrN2O3
Molecular Weight413.36 g/mol
Exact Mass412.14
IUPAC Name(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(Br)c(OC)cc2OC)C1
InChIInChI=1S/C19H29BrN2O3/c1-5-22(6-2)19(23)14-8-7-9-21(12-14)13-15-10-16(20)18(25-4)11-17(15)24-3/h10-11,14H,5-9,12-13H2,1-4H3/t14-/m1/s1
InChIKeyRXDPONQDDAGSEL-CQSZACIVSA-N
XLogP3.55
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
N,N-diethyl-1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 2846014
(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2057088
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidine-3-carbaldehyde
CID 62654922
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride
CID 163326491
(3R)-1-[[4-[(2,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 42169418
1-[[4-[(2,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 45177213
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
CID 62356314
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (CID 1069661) is (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(Br)c(OC)cc2OC)C1.
What is the InChIKey of (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is RXDPONQDDAGSEL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29BrN2O3/c1-5-22(6-2)19(23)14-8-7-9-21(12-14)13-15-10-16(20)18(25-4)11-17(15)24-3/h10-11,14H,5-9,12-13H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 413.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 1069661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).