N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide

C18H23N3O2 — CID 51078734

IUPACN-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-2-19-18(23)13-7-9-21(10-8-13)17(22)11-14-12-20-16-6-4-3-5-15(14)16/h3-6,12-13,20H,2,7-11H2,1H3,(H,19,23)
InChIKeyPRJUUNZRWACZMZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.09
Rot. Bonds4

About N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide

N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 51078734) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID51078734
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-2-19-18(23)13-7-9-21(10-8-13)17(22)11-14-12-20-16-6-4-3-5-15(14)16/h3-6,12-13,20H,2,7-11H2,1H3,(H,19,23)
InChIKeyPRJUUNZRWACZMZ-UHFFFAOYSA-N
XLogP2.09
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003443
N-[3-(dimethylamino)propyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003574
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113008816
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113003701
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113007151
1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007464
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide (CID 51078734) is N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is PRJUUNZRWACZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-19-18(23)13-7-9-21(10-8-13)17(22)11-14-12-20-16-6-4-3-5-15(14)16/h3-6,12-13,20H,2,7-11H2,1H3,(H,19,23).
What are the key properties of N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 51078734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).