N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

C14H23N5O — CID 53189386

IUPACN,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H23N5O/c1-15-14-16-7-4-12(17-14)19-8-5-11(6-9-19)10-13(20)18(2)3/h4,7,11H,5-6,8-10H2,1-3H3,(H,15,16,17)
InChIKeyNRUNGDSJPGYOCM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.21
Rot. Bonds4

About N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 53189386) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID53189386
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H23N5O/c1-15-14-16-7-4-12(17-14)19-8-5-11(6-9-19)10-13(20)18(2)3/h4,7,11H,5-6,8-10H2,1-3H3,(H,15,16,17)
InChIKeyNRUNGDSJPGYOCM-UHFFFAOYSA-N
XLogP1.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 53189386) is N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CNc1nccc(N2CCC(CC(=O)N(C)C)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is NRUNGDSJPGYOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-15-14-16-7-4-12(17-14)19-8-5-11(6-9-19)10-13(20)18(2)3/h4,7,11H,5-6,8-10H2,1-3H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53189386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).