N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine

C24H30N6S — CID 10502988

IUPACN-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESCN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C24H30N6S/c1-28(15-19-8-12-31-16-19)21-6-10-29(11-7-21)9-2-3-20-14-25-24-5-4-22(13-23(20)24)30-17-26-27-18-30/h4-5,8,12-14,16-18,21,25H,2-3,6-7,9-11,15H2,1H3
InChIKeyRLXVWSMPJVSNFH-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.34
Rot. Bonds8

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

N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (PubChem CID 10502988) has the molecular formula C24H30N6S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
PubChem CID10502988
Molecular FormulaC24H30N6S
Molecular Weight434.61 g/mol
Exact Mass434.23
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESCN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C24H30N6S/c1-28(15-19-8-12-31-16-19)21-6-10-29(11-7-21)9-2-3-20-14-25-24-5-4-22(13-23(20)24)30-17-26-27-18-30/h4-5,8,12-14,16-18,21,25H,2-3,6-7,9-11,15H2,1H3
InChIKeyRLXVWSMPJVSNFH-UHFFFAOYSA-N
XLogP4.34
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (CID 10502988) is N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The InChIKey is RLXVWSMPJVSNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6S/c1-28(15-19-8-12-31-16-19)21-6-10-29(11-7-21)9-2-3-20-14-25-24-5-4-22(13-23(20)24)30-17-26-27-18-30/h4-5,8,12-14,16-18,21,25H,2-3,6-7,9-11,15H2,1H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine has a molecular weight of 434.61 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is sourced from PubChem (CID 10502988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).