(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

C21H35N3O3+2 — CID 7437037

IUPAC(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1
InChIInChI=1S/C21H33N3O3/c1-16(21(25)22-19-15-18(26-2)7-8-20(19)27-3)23-13-9-17(10-14-23)24-11-5-4-6-12-24/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,22,25)/p+2/t16-/m1/s1
InChIKeyNBTRRYGPHFDJBM-MRXNPFEDSA-P
MW377.53 g/mol
LogP0.15
Rot. Bonds6

About (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide (PubChem CID 7437037) has the molecular formula C21H35N3O3+2 and a molecular weight of 377.53 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
PubChem CID7437037
Molecular FormulaC21H35N3O3+2
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1
InChIInChI=1S/C21H33N3O3/c1-16(21(25)22-19-15-18(26-2)7-8-20(19)27-3)23-13-9-17(10-14-23)24-11-5-4-6-12-24/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,22,25)/p+2/t16-/m1/s1
InChIKeyNBTRRYGPHFDJBM-MRXNPFEDSA-P
XLogP0.15
TPSA56.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide 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

(2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249574
(2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9249893
(2S)-N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7815568
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
(2S)-N-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274984
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11934246
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
(2R)-2-(azepan-1-ium-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9249933
(2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460498
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
(2S)-N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998674

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide (CID 7437037) is (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide is COc1ccc(OC)c(NC(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?
The InChIKey is NBTRRYGPHFDJBM-MRXNPFEDSA-P. The full InChI is InChI=1S/C21H33N3O3/c1-16(21(25)22-19-15-18(26-2)7-8-20(19)27-3)23-13-9-17(10-14-23)24-11-5-4-6-12-24/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,22,25)/p+2/t16-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide has a molecular weight of 377.53 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 7437037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).