N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

C23H34N4O2 — CID 60603404

IUPACN,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(C)C(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H34N4O2/c1-4-26(5-2)23(29)18-11-14-27(15-12-18)17(3)22(28)24-13-10-19-16-25-21-9-7-6-8-20(19)21/h6-9,16-18,25H,4-5,10-15H2,1-3H3,(H,24,28)
InChIKeyVJNAVYNJXCKVCJ-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.80
Rot. Bonds8

About N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 60603404) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID60603404
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(C)C(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H34N4O2/c1-4-26(5-2)23(29)18-11-14-27(15-12-18)17(3)22(28)24-13-10-19-16-25-21-9-7-6-8-20(19)21/h6-9,16-18,25H,4-5,10-15H2,1-3H3,(H,24,28)
InChIKeyVJNAVYNJXCKVCJ-UHFFFAOYSA-N
XLogP2.80
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600346
2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propanamide
CID 167780744
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 60593019
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108915571
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 40649871
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 163091654
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 60603404) is N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(C(C)C(=O)NCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is VJNAVYNJXCKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-4-26(5-2)23(29)18-11-14-27(15-12-18)17(3)22(28)24-13-10-19-16-25-21-9-7-6-8-20(19)21/h6-9,16-18,25H,4-5,10-15H2,1-3H3,(H,24,28).
What are the key properties of N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 60603404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).