N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide

C20H27N3O2 — CID 110819918

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)19(25)23-10-8-15(9-11-23)22-18(24)12-14-13-21-17-7-5-4-6-16(14)17/h4-7,13,15,21H,8-12H2,1-3H3,(H,22,24)
InChIKeyOJRCDXYSQQAEFK-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.86
Rot. Bonds3

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 110819918) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID110819918
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)19(25)23-10-8-15(9-11-23)22-18(24)12-14-13-21-17-7-5-4-6-16(14)17/h4-7,13,15,21H,8-12H2,1-3H3,(H,22,24)
InChIKeyOJRCDXYSQQAEFK-UHFFFAOYSA-N
XLogP2.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819576
N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820676
N-(3,4-dimethylcyclohexyl)-2-(1H-indol-3-yl)acetamide
CID 64742201
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
2-(1H-indol-3-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
CID 91910721
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
2-(1H-indol-3-yl)-N-(3-methoxycyclobutyl)acetamide
CID 104578428
N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 52898572
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide (CID 110819918) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide is CC(C)(C)C(=O)N1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is OJRCDXYSQQAEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)19(25)23-10-8-15(9-11-23)22-18(24)12-14-13-21-17-7-5-4-6-16(14)17/h4-7,13,15,21H,8-12H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 110819918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).