N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C22H27N5O2 — CID 53009996

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCCN(c4nccc(C)n4)C3)c2c1
InChIInChI=1S/C22H27N5O2/c1-15-7-9-24-22(26-15)27-11-3-4-17(14-27)21(28)23-10-8-16-13-25-20-6-5-18(29-2)12-19(16)20/h5-7,9,12-13,17,25H,3-4,8,10-11,14H2,1-2H3,(H,23,28)
InChIKeyNXMHPYGFOBJXEO-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 53009996) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID53009996
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCCN(c4nccc(C)n4)C3)c2c1
InChIInChI=1S/C22H27N5O2/c1-15-7-9-24-22(26-15)27-11-3-4-17(14-27)21(28)23-10-8-16-13-25-20-6-5-18(29-2)12-19(16)20/h5-7,9,12-13,17,25H,3-4,8,10-11,14H2,1-2H3,(H,23,28)
InChIKeyNXMHPYGFOBJXEO-UHFFFAOYSA-N
XLogP2.85
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 71706139
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96556893
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72928968
(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105209
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 93076085
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952057
1-(4-methylpyrimidin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53102086

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 53009996) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3CCCN(c4nccc(C)n4)C3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is NXMHPYGFOBJXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-7-9-24-22(26-15)27-11-3-4-17(14-27)21(28)23-10-8-16-13-25-20-6-5-18(29-2)12-19(16)20/h5-7,9,12-13,17,25H,3-4,8,10-11,14H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53009996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).