1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C22H25N3O2 — CID 156606265

IUPAC1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCOc1ccc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CC2N)cc1
InChIInChI=1S/C22H25N3O2/c1-27-17-9-6-15(7-10-17)19-13-25(14-20(19)23)22(26)11-8-16-12-24-21-5-3-2-4-18(16)21/h2-7,9-10,12,19-20,24H,8,11,13-14,23H2,1H3
InChIKeyAAVJJIIYGHMDLS-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.06
Rot. Bonds5

About 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 156606265) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID156606265
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCOc1ccc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CC2N)cc1
InChIInChI=1S/C22H25N3O2/c1-27-17-9-6-15(7-10-17)19-13-25(14-20(19)23)22(26)11-8-16-12-24-21-5-3-2-4-18(16)21/h2-7,9-10,12,19-20,24H,8,11,13-14,23H2,1H3
InChIKeyAAVJJIIYGHMDLS-UHFFFAOYSA-N
XLogP3.06
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 79989530
3-(1H-indol-3-yl)-1-[4-[(R)-(4-methoxyphenyl)-phenylmethyl]piperazin-4-ium-1-yl]propan-1-one
CID 6989848
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate
CID 51957752
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 26419309
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120749124
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(2-bromophenyl)propan-1-one
CID 120746341

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 156606265) is 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is COc1ccc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CC2N)cc1.
What is the InChIKey of 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is AAVJJIIYGHMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-17-9-6-15(7-10-17)19-13-25(14-20(19)23)22(26)11-8-16-12-24-21-5-3-2-4-18(16)21/h2-7,9-10,12,19-20,24H,8,11,13-14,23H2,1H3.
What are the key properties of 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 156606265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).