N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

C22H29N3O2 — CID 24599123

IUPACN-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(NCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c26-21(15-24-22(27)17-6-2-1-3-7-17)25-12-10-16(11-13-25)19-14-23-20-9-5-4-8-18(19)20/h4-5,8-9,14,16-17,23H,1-3,6-7,10-13,15H2,(H,24,27)
InChIKeyGUTTUHGDYYXFPC-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.57
Rot. Bonds4

About N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 24599123) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID24599123
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(NCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c26-21(15-24-22(27)17-6-2-1-3-7-17)25-12-10-16(11-13-25)19-14-23-20-9-5-4-8-18(19)20/h4-5,8-9,14,16-17,23H,1-3,6-7,10-13,15H2,(H,24,27)
InChIKeyGUTTUHGDYYXFPC-UHFFFAOYSA-N
XLogP3.57
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155248386
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 84558827
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
N-[2-(1H-indol-3-yl)-2-methylpropyl]cyclohexanecarboxamide
CID 113084050
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
CID 55910561

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide (CID 24599123) is N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide is O=C(NCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)C1CCCCC1.
What is the InChIKey of N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is GUTTUHGDYYXFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-21(15-24-22(27)17-6-2-1-3-7-17)25-12-10-16(11-13-25)19-14-23-20-9-5-4-8-18(19)20/h4-5,8-9,14,16-17,23H,1-3,6-7,10-13,15H2,(H,24,27).
What are the key properties of N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 24599123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).