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

C17H29N5O — CID 53189300

IUPACN-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCCCNC(=O)CC1CCN(c2ccnc(NCC)n2)CC1
InChIInChI=1S/C17H29N5O/c1-3-5-9-19-16(23)13-14-7-11-22(12-8-14)15-6-10-20-17(21-15)18-4-2/h6,10,14H,3-5,7-9,11-13H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyXYNJZHYSJMVEOV-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.43
Rot. Bonds8

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

N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 53189300) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID53189300
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCCCNC(=O)CC1CCN(c2ccnc(NCC)n2)CC1
InChIInChI=1S/C17H29N5O/c1-3-5-9-19-16(23)13-14-7-11-22(12-8-14)15-6-10-20-17(21-15)18-4-2/h6,10,14H,3-5,7-9,11-13H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyXYNJZHYSJMVEOV-UHFFFAOYSA-N
XLogP2.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 53189300) is N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CCCCNC(=O)CC1CCN(c2ccnc(NCC)n2)CC1.
What is the InChIKey of N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is XYNJZHYSJMVEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-3-5-9-19-16(23)13-14-7-11-22(12-8-14)15-6-10-20-17(21-15)18-4-2/h6,10,14H,3-5,7-9,11-13H2,1-2H3,(H,19,23)(H,18,20,21).
What are the key properties of N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53189300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).