N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide

C23H25N3O2 — CID 162364764

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H25N3O2/c27-22(16-24-23(28)21-15-19-8-4-5-9-20(19)25-21)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-9,15,18,25H,10-14,16H2,(H,24,28)
InChIKeyHYHKFYZYHCFUQB-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 162364764) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID162364764
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H25N3O2/c27-22(16-24-23(28)21-15-19-8-4-5-9-20(19)25-21)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-9,15,18,25H,10-14,16H2,(H,24,28)
InChIKeyHYHKFYZYHCFUQB-UHFFFAOYSA-N
XLogP3.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257010
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid
CID 119195154
1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111749720
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 176993985

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide (CID 162364764) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide is O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is HYHKFYZYHCFUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(16-24-23(28)21-15-19-8-4-5-9-20(19)25-21)26-12-10-18(11-13-26)14-17-6-2-1-3-7-17/h1-9,15,18,25H,10-14,16H2,(H,24,28).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 162364764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).