N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C20H29N3O2 — CID 32525655

IUPACN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCNC(=O)CN1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C20H29N3O2/c1-21-20(25)14-23-10-8-18(9-11-23)22-19(24)13-15-6-7-16-4-2-3-5-17(16)12-15/h6-7,12,18H,2-5,8-11,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyWXUHJXTXRRFYJF-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.43
Rot. Bonds5

About N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 32525655) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID32525655
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCNC(=O)CN1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C20H29N3O2/c1-21-20(25)14-23-10-8-18(9-11-23)22-19(24)13-15-6-7-16-4-2-3-5-17(16)12-15/h6-7,12,18H,2-5,8-11,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyWXUHJXTXRRFYJF-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 32525655) is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CNC(=O)CN1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is WXUHJXTXRRFYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-21-20(25)14-23-10-8-18(9-11-23)22-19(24)13-15-6-7-16-4-2-3-5-17(16)12-15/h6-7,12,18H,2-5,8-11,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 32525655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).