N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

C23H33N5O — CID 53107274

IUPACN-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2ncc(-c3cccc(C)c3)cn2)CC1
InChIInChI=1S/C23H33N5O/c1-4-27(5-2)14-11-24-22(29)19-9-12-28(13-10-19)23-25-16-21(17-26-23)20-8-6-7-18(3)15-20/h6-8,15-17,19H,4-5,9-14H2,1-3H3,(H,24,29)
InChIKeyIXXYAMWBTNVYBI-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.13
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 53107274) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID53107274
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2ncc(-c3cccc(C)c3)cn2)CC1
InChIInChI=1S/C23H33N5O/c1-4-27(5-2)14-11-24-22(29)19-9-12-28(13-10-19)23-25-16-21(17-26-23)20-8-6-7-18(3)15-20/h6-8,15-17,19H,4-5,9-14H2,1-3H3,(H,24,29)
InChIKeyIXXYAMWBTNVYBI-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
CID 53107235
N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 20972451
N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107315
N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025223
N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53010331
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 53010327
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107339
N-[2-(diethylamino)ethyl]-1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 50783320
N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
(3R)-N-[3-(dipropylamino)propyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085750
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 53107274) is N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(c2ncc(-c3cccc(C)c3)cn2)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is IXXYAMWBTNVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-4-27(5-2)14-11-24-22(29)19-9-12-28(13-10-19)23-25-16-21(17-26-23)20-8-6-7-18(3)15-20/h6-8,15-17,19H,4-5,9-14H2,1-3H3,(H,24,29).
What are the key properties of N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53107274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).