N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C20H35N5O3 — CID 95557669

About N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 95557669) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 95557669
• Molecular Formula: C20H35N5O3
• Molecular Weight: 393.53 g/mol
• Exact Mass: 393.27
• IUPAC Name: N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
• SMILES: CC(=O)NCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1
• InChI: InChI=1S/C20H35N5O3/c1-16(26)21-14-19(27)23-8-5-18(6-9-23)25-7-3-4-17(15-25)20(28)24-12-10-22(2)11-13-24/h17-18H,3-15H2,1-2H3,(H,21,26)/t17-/m1/s1
• InChIKey: MWSGALDYKHEJII-QGZVFWFLSA-N
• XLogP: -0.40
• TPSA: 76.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.53
LogP ≤ 5	-0.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 95557669) is N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1.

What is the InChIKey of N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is MWSGALDYKHEJII-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-16(26)21-14-19(27)23-8-5-18(6-9-23)25-7-3-4-17(15-25)20(28)24-12-10-22(2)11-13-24/h17-18H,3-15H2,1-2H3,(H,21,26)/t17-/m1/s1.

What are the key properties of N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 95557669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).