N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C22H32N4O — CID 3224246

IUPACN-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1
InChIInChI=1S/C22H32N4O/c1-14-6-15(2)24-21(23-14)26-5-3-4-19(13-26)20(27)25-22-10-16-7-17(11-22)9-18(8-16)12-22/h6,16-19H,3-5,7-13H2,1-2H3,(H,25,27)
InChIKeyFTZSDKRFGZKTBI-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.39
Rot. Bonds3

About N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3224246) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3224246
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1
InChIInChI=1S/C22H32N4O/c1-14-6-15(2)24-21(23-14)26-5-3-4-19(13-26)20(27)25-22-10-16-7-17(11-22)9-18(8-16)12-22/h6,16-19H,3-5,7-13H2,1-2H3,(H,25,27)
InChIKeyFTZSDKRFGZKTBI-UHFFFAOYSA-N
XLogP3.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3224330
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 125432590

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3224246) is N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1.
What is the InChIKey of N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is FTZSDKRFGZKTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-14-6-15(2)24-21(23-14)26-5-3-4-19(13-26)20(27)25-22-10-16-7-17(11-22)9-18(8-16)12-22/h6,16-19H,3-5,7-13H2,1-2H3,(H,25,27).
What are the key properties of N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3224246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).