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

C22H30N6 — CID 10571716

IUPACN-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESC=CCN(C)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C22H30N6/c1-3-10-26(2)19-8-12-27(13-9-19)11-4-5-18-15-23-22-7-6-20(14-21(18)22)28-16-24-25-17-28/h3,6-7,14-17,19,23H,1,4-5,8-13H2,2H3
InChIKeySRZNBUCHXJTXRC-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.26
Rot. Bonds8

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

N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (PubChem CID 10571716) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
PubChem CID10571716
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC NameN-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESC=CCN(C)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C22H30N6/c1-3-10-26(2)19-8-12-27(13-9-19)11-4-5-18-15-23-22-7-6-20(14-21(18)22)28-16-24-25-17-28/h3,6-7,14-17,19,23H,1,4-5,8-13H2,2H3
InChIKeySRZNBUCHXJTXRC-UHFFFAOYSA-N
XLogP3.26
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (CID 10571716) is N-methyl-N-prop-2-enyl-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-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is C=CCN(C)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1.
What is the InChIKey of N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The InChIKey is SRZNBUCHXJTXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-3-10-26(2)19-8-12-27(13-9-19)11-4-5-18-15-23-22-7-6-20(14-21(18)22)28-16-24-25-17-28/h3,6-7,14-17,19,23H,1,4-5,8-13H2,2H3.
What are the key properties of N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine has a molecular weight of 378.52 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is sourced from PubChem (CID 10571716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).