N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

C17H29N5O — CID 53189299

IUPACN,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)N(CC)CC)CC2)n1
InChIInChI=1S/C17H29N5O/c1-4-18-17-19-10-7-15(20-17)22-11-8-14(9-12-22)13-16(23)21(5-2)6-3/h7,10,14H,4-6,8-9,11-13H2,1-3H3,(H,18,19,20)
InChIKeyIBSNNVCUDWUCBV-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.38
Rot. Bonds7

About N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 53189299) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID53189299
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)N(CC)CC)CC2)n1
InChIInChI=1S/C17H29N5O/c1-4-18-17-19-10-7-15(20-17)22-11-8-14(9-12-22)13-16(23)21(5-2)6-3/h7,10,14H,4-6,8-9,11-13H2,1-3H3,(H,18,19,20)
InChIKeyIBSNNVCUDWUCBV-UHFFFAOYSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 53189299) is N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CCNc1nccc(N2CCC(CC(=O)N(CC)CC)CC2)n1.
What is the InChIKey of N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is IBSNNVCUDWUCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-18-17-19-10-7-15(20-17)22-11-8-14(9-12-22)13-16(23)21(5-2)6-3/h7,10,14H,4-6,8-9,11-13H2,1-3H3,(H,18,19,20).
What are the key properties of N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53189299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).