1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

C18H29N5O — CID 53031030

IUPAC1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCCN3CCCCC3)C2)n1
InChIInChI=1S/C18H29N5O/c1-15-7-8-20-18(21-15)23-12-5-6-16(14-23)17(24)19-9-13-22-10-3-2-4-11-22/h7-8,16H,2-6,9-14H2,1H3,(H,19,24)
InChIKeyXQBRDKWSKWJGMY-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.60
Rot. Bonds5

About 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 53031030) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID53031030
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCCN3CCCCC3)C2)n1
InChIInChI=1S/C18H29N5O/c1-15-7-8-20-18(21-15)23-12-5-6-16(14-23)17(24)19-9-13-22-10-3-2-4-11-22/h7-8,16H,2-6,9-14H2,1H3,(H,19,24)
InChIKeyXQBRDKWSKWJGMY-UHFFFAOYSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
8-[4-[4-(4-Methylpyrimidin-2-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 12840732
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
US9624218, Example 16
CID 138374302
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
1-(4-Methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 91406466
US9624218, Example 1
CID 138374292
US9624218, Example 7
CID 138374297
US9624218, Example 10
CID 138374298
US9624218, Example 14
CID 138374300

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (CID 53031030) is 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)NCCN3CCCCC3)C2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is XQBRDKWSKWJGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-15-7-8-20-18(21-15)23-12-5-6-16(14-23)17(24)19-9-13-22-10-3-2-4-11-22/h7-8,16H,2-6,9-14H2,1H3,(H,19,24).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53031030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).