N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

C16H26N4O — CID 110249101

IUPACN,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCc1ncc(CN2CCCC(C)(C(=O)NC)C2)cn1
InChIInChI=1S/C16H26N4O/c1-4-6-14-18-9-13(10-19-14)11-20-8-5-7-16(2,12-20)15(21)17-3/h9-10H,4-8,11-12H2,1-3H3,(H,17,21)
InChIKeyVSUONUDMZQJNLL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.78
Rot. Bonds5

About N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 110249101) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
PubChem CID110249101
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCc1ncc(CN2CCCC(C)(C(=O)NC)C2)cn1
InChIInChI=1S/C16H26N4O/c1-4-6-14-18-9-13(10-19-14)11-20-8-5-7-16(2,12-20)15(21)17-3/h9-10H,4-8,11-12H2,1-3H3,(H,17,21)
InChIKeyVSUONUDMZQJNLL-UHFFFAOYSA-N
XLogP1.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (CID 110249101) is N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is CCCc1ncc(CN2CCCC(C)(C(=O)NC)C2)cn1.
What is the InChIKey of N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is VSUONUDMZQJNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-6-14-18-9-13(10-19-14)11-20-8-5-7-16(2,12-20)15(21)17-3/h9-10H,4-8,11-12H2,1-3H3,(H,17,21).
What are the key properties of N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110249101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).