2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide

C23H29N5O2 — CID 24816603

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CC2C(=O)NCCN2Cc2ccccc2)nc2c1CCC2
InChIInChI=1S/C23H29N5O2/c1-16-18-8-5-9-19(18)27-21(26-16)10-11-24-22(29)14-20-23(30)25-12-13-28(20)15-17-6-3-2-4-7-17/h2-4,6-7,20H,5,8-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyNPFMFXYIOUJHIU-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.32
Rot. Bonds7

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide (PubChem CID 24816603) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
PubChem CID24816603
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CC2C(=O)NCCN2Cc2ccccc2)nc2c1CCC2
InChIInChI=1S/C23H29N5O2/c1-16-18-8-5-9-19(18)27-21(26-16)10-11-24-22(29)14-20-23(30)25-12-13-28(20)15-17-6-3-2-4-7-17/h2-4,6-7,20H,5,8-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyNPFMFXYIOUJHIU-UHFFFAOYSA-N
XLogP1.32
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide (CID 24816603) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CC2C(=O)NCCN2Cc2ccccc2)nc2c1CCC2.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is NPFMFXYIOUJHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-18-8-5-9-19(18)27-21(26-16)10-11-24-22(29)14-20-23(30)25-12-13-28(20)15-17-6-3-2-4-7-17/h2-4,6-7,20H,5,8-15H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 24816603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).