N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide

C27H32N6O — CID 18975309

IUPACN-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC2CCCCN2CCCc2c[nH]c3ccc(-n4cnnc4)cc23)cc1
InChIInChI=1S/C27H32N6O/c1-20(34)31-23-9-7-21(8-10-23)15-24-6-2-3-13-32(24)14-4-5-22-17-28-27-12-11-25(16-26(22)27)33-18-29-30-19-33/h7-12,16-19,24,28H,2-6,13-15H2,1H3,(H,31,34)
InChIKeyCMISSHWYOBPIOZ-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.74
Rot. Bonds8

About N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide

N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide (PubChem CID 18975309) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide
PubChem CID18975309
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC NameN-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC2CCCCN2CCCc2c[nH]c3ccc(-n4cnnc4)cc23)cc1
InChIInChI=1S/C27H32N6O/c1-20(34)31-23-9-7-21(8-10-23)15-24-6-2-3-13-32(24)14-4-5-22-17-28-27-12-11-25(16-26(22)27)33-18-29-30-19-33/h7-12,16-19,24,28H,2-6,13-15H2,1H3,(H,31,34)
InChIKeyCMISSHWYOBPIOZ-UHFFFAOYSA-N
XLogP4.74
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide
CID 67649802
N-[4-[2-[4-[(2R)-2-hydroxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]phenyl]acetamide
CID 70101925
3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10741528
methyl 1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
CID 57301007
3-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10787240
3-[2-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10834908
N-(furan-3-ylmethyl)-N-methyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
CID 10645715
4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile
CID 18975330
methyl 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetate
CID 10837583
3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57263001
3-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-1-ol
CID 70104878
3-[3-(4-benzyl-3-methylpiperazin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67690579

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide (CID 18975309) is N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CC2CCCCN2CCCc2c[nH]c3ccc(-n4cnnc4)cc23)cc1.
What is the InChIKey of N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide?
The InChIKey is CMISSHWYOBPIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-20(34)31-23-9-7-21(8-10-23)15-24-6-2-3-13-32(24)14-4-5-22-17-28-27-12-11-25(16-26(22)27)33-18-29-30-19-33/h7-12,16-19,24,28H,2-6,13-15H2,1H3,(H,31,34).
What are the key properties of N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide?
N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 18975309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).