N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide

C22H30N4O2 — CID 55981658

IUPACN-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H30N4O2/c1-16(27)24-21(14-17-15-23-20-7-3-2-6-19(17)20)22(28)26-12-8-18(9-13-26)25-10-4-5-11-25/h2-3,6-7,15,18,21,23H,4-5,8-14H2,1H3,(H,24,27)
InChIKeyXKSYHKZLEOBCMM-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.30
Rot. Bonds5

About N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide

N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide (PubChem CID 55981658) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
PubChem CID55981658
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H30N4O2/c1-16(27)24-21(14-17-15-23-20-7-3-2-6-19(17)20)22(28)26-12-8-18(9-13-26)25-10-4-5-11-25/h2-3,6-7,15,18,21,23H,4-5,8-14H2,1H3,(H,24,27)
InChIKeyXKSYHKZLEOBCMM-UHFFFAOYSA-N
XLogP2.30
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 38393886
N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110286467
N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
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N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 35807048
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 112843422
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide
CID 33172344
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 55586725
N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 37017427
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide (CID 55981658) is N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide?
The InChIKey is XKSYHKZLEOBCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16(27)24-21(14-17-15-23-20-7-3-2-6-19(17)20)22(28)26-12-8-18(9-13-26)25-10-4-5-11-25/h2-3,6-7,15,18,21,23H,4-5,8-14H2,1H3,(H,24,27).
What are the key properties of N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide?
N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 55981658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).