N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide

C18H27N5O3 — CID 126448646

IUPACN-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCN(CCNc1cc([C@H]2CCOC2)ncn1)C(=O)CN1CCCCC1=O
InChIInChI=1S/C18H27N5O3/c1-22(18(25)11-23-7-3-2-4-17(23)24)8-6-19-16-10-15(20-13-21-16)14-5-9-26-12-14/h10,13-14H,2-9,11-12H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyNEJMTLJCVBAXES-AWEZNQCLSA-N
MW361.45 g/mol
LogP0.86
Rot. Bonds7

About N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide

N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 126448646) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID126448646
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCN(CCNc1cc([C@H]2CCOC2)ncn1)C(=O)CN1CCCCC1=O
InChIInChI=1S/C18H27N5O3/c1-22(18(25)11-23-7-3-2-4-17(23)24)8-6-19-16-10-15(20-13-21-16)14-5-9-26-12-14/h10,13-14H,2-9,11-12H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyNEJMTLJCVBAXES-AWEZNQCLSA-N
XLogP0.86
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 126448646) is N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide is CN(CCNc1cc([C@H]2CCOC2)ncn1)C(=O)CN1CCCCC1=O.
What is the InChIKey of N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is NEJMTLJCVBAXES-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-22(18(25)11-23-7-3-2-4-17(23)24)8-6-19-16-10-15(20-13-21-16)14-5-9-26-12-14/h10,13-14H,2-9,11-12H2,1H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 126448646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).