(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide

C24H29N3O3 — CID 41414942

IUPAC(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1OC
InChIInChI=1S/C24H29N3O3/c1-16(24(28)26-18-8-9-22(29-2)23(14-18)30-3)27-12-10-17(11-13-27)20-15-25-21-7-5-4-6-19(20)21/h4-9,14-17,25H,10-13H2,1-3H3,(H,26,28)/t16-/m0/s1
InChIKeyYQGKOGMFADVCHL-INIZCTEOSA-N
MW407.51 g/mol
LogP4.39
Rot. Bonds6

About (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide

(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide (PubChem CID 41414942) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
PubChem CID41414942
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1OC
InChIInChI=1S/C24H29N3O3/c1-16(24(28)26-18-8-9-22(29-2)23(14-18)30-3)27-12-10-17(11-13-27)20-15-25-21-7-5-4-6-19(20)21/h4-9,14-17,25H,10-13H2,1-3H3,(H,26,28)/t16-/m0/s1
InChIKeyYQGKOGMFADVCHL-INIZCTEOSA-N
XLogP4.39
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 41414932
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 41379567
(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41379703
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 25492854
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952
2-(4-benzhydrylpiperazin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 55430572
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 97261045
2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide (CID 41414942) is (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide is COc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1OC.
What is the InChIKey of (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is YQGKOGMFADVCHL-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16(24(28)26-18-8-9-22(29-2)23(14-18)30-3)27-12-10-17(11-13-27)20-15-25-21-7-5-4-6-19(20)21/h4-9,14-17,25H,10-13H2,1-3H3,(H,26,28)/t16-/m0/s1.
What are the key properties of (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 41414942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).