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

C28H35N7O — CID 10696275

IUPACN-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1
InChIInChI=1S/C28H35N7O/c1-21(36)33-25-6-4-22(5-7-25)10-13-29-24-11-15-34(16-12-24)14-2-3-23-18-30-28-9-8-26(17-27(23)28)35-19-31-32-20-35/h4-9,17-20,24,29-30H,2-3,10-16H2,1H3,(H,33,36)
InChIKeyVBZYBVZLUCGERA-UHFFFAOYSA-N
MW485.64 g/mol
LogP3.94
Rot. Bonds10

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

N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide (PubChem CID 10696275) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide
PubChem CID10696275
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC NameN-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1
InChIInChI=1S/C28H35N7O/c1-21(36)33-25-6-4-22(5-7-25)10-13-29-24-11-15-34(16-12-24)14-2-3-23-18-30-28-9-8-26(17-27(23)28)35-19-31-32-20-35/h4-9,17-20,24,29-30H,2-3,10-16H2,1H3,(H,33,36)
InChIKeyVBZYBVZLUCGERA-UHFFFAOYSA-N
XLogP3.94
TPSA90.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide (CID 10696275) is N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1.
What is the InChIKey of N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide?
The InChIKey is VBZYBVZLUCGERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-21(36)33-25-6-4-22(5-7-25)10-13-29-24-11-15-34(16-12-24)14-2-3-23-18-30-28-9-8-26(17-27(23)28)35-19-31-32-20-35/h4-9,17-20,24,29-30H,2-3,10-16H2,1H3,(H,33,36).
What are the key properties of N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide?
N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide has a molecular weight of 485.64 g/mol, XLogP of 3.94, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 10696275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).