N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide

C20H36N6O — CID 72877924

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide
SMILESCc1nncn1CCN1CCCC(CCC(=O)N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C20H36N6O/c1-17-22-21-16-26(17)14-13-25-10-4-5-18(15-25)6-7-20(27)24(3)19-8-11-23(2)12-9-19/h16,18-19H,4-15H2,1-3H3
InChIKeyWRKYTTLJWHKTNK-UHFFFAOYSA-N
MW376.55 g/mol
LogP1.63
Rot. Bonds7

About N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide (PubChem CID 72877924) has the molecular formula C20H36N6O and a molecular weight of 376.55 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide
PubChem CID72877924
Molecular FormulaC20H36N6O
Molecular Weight376.55 g/mol
Exact Mass376.30
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide
SMILESCc1nncn1CCN1CCCC(CCC(=O)N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C20H36N6O/c1-17-22-21-16-26(17)14-13-25-10-4-5-18(15-25)6-7-20(27)24(3)19-8-11-23(2)12-9-19/h16,18-19H,4-15H2,1-3H3
InChIKeyWRKYTTLJWHKTNK-UHFFFAOYSA-N
XLogP1.63
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide (CID 72877924) is N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide is Cc1nncn1CCN1CCCC(CCC(=O)N(C)C2CCN(C)CC2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide?
The InChIKey is WRKYTTLJWHKTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O/c1-17-22-21-16-26(17)14-13-25-10-4-5-18(15-25)6-7-20(27)24(3)19-8-11-23(2)12-9-19/h16,18-19H,4-15H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide has a molecular weight of 376.55 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 72877924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).