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

C16H23N5O2 — CID 125176520

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide
SMILESCCN1CCNC(=O)[C@@H]1CC(=O)NCc1ncc2c(n1)CCC2
InChIInChI=1S/C16H23N5O2/c1-2-21-7-6-17-16(23)13(21)8-15(22)19-10-14-18-9-11-4-3-5-12(11)20-14/h9,13H,2-8,10H2,1H3,(H,17,23)(H,19,22)/t13-/m0/s1
InChIKeyPXFRZMUBHCAERV-ZDUSSCGKSA-N
MW317.39 g/mol
LogP-0.21
Rot. Bonds5

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

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide (PubChem CID 125176520) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide
PubChem CID125176520
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide
SMILESCCN1CCNC(=O)[C@@H]1CC(=O)NCc1ncc2c(n1)CCC2
InChIInChI=1S/C16H23N5O2/c1-2-21-7-6-17-16(23)13(21)8-15(22)19-10-14-18-9-11-4-3-5-12(11)20-14/h9,13H,2-8,10H2,1H3,(H,17,23)(H,19,22)/t13-/m0/s1
InChIKeyPXFRZMUBHCAERV-ZDUSSCGKSA-N
XLogP-0.21
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide (CID 125176520) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide is CCN1CCNC(=O)[C@@H]1CC(=O)NCc1ncc2c(n1)CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide?
The InChIKey is PXFRZMUBHCAERV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-2-21-7-6-17-16(23)13(21)8-15(22)19-10-14-18-9-11-4-3-5-12(11)20-14/h9,13H,2-8,10H2,1H3,(H,17,23)(H,19,22)/t13-/m0/s1.
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 125176520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).