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

C23H27N3O2 — CID 41414916

IUPAC(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-16(23(27)25-18-7-9-19(28-2)10-8-18)26-13-11-17(12-14-26)21-15-24-22-6-4-3-5-20(21)22/h3-10,15-17,24H,11-14H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyDCGOQSCTKQPKMO-INIZCTEOSA-N
MW377.49 g/mol
LogP4.38
Rot. Bonds5

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

(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 41414916) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID41414916
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-16(23(27)25-18-7-9-19(28-2)10-8-18)26-13-11-17(12-14-26)21-15-24-22-6-4-3-5-20(21)22/h3-10,15-17,24H,11-14H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyDCGOQSCTKQPKMO-INIZCTEOSA-N
XLogP4.38
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414942
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 41414932
(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
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 41379567
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489471
N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479
2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[(4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 58617703
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 22611431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide (CID 41414916) is (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is DCGOQSCTKQPKMO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(23(27)25-18-7-9-19(28-2)10-8-18)26-13-11-17(12-14-26)21-15-24-22-6-4-3-5-20(21)22/h3-10,15-17,24H,11-14H2,1-2H3,(H,25,27)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide?
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 41414916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).