N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide

C21H30N4O — CID 122353091

IUPACN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N4O/c26-19(21-11-15-8-16(12-21)10-17(9-15)13-21)23-14-18-4-5-22-20(24-18)25-6-2-1-3-7-25/h4-5,15-17H,1-3,6-14H2,(H,23,26)
InChIKeyKLDVFKSSRHHUAZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.30
Rot. Bonds4

About N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide

N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide (PubChem CID 122353091) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide
PubChem CID122353091
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N4O/c26-19(21-11-15-8-16(12-21)10-17(9-15)13-21)23-14-18-4-5-22-20(24-18)25-6-2-1-3-7-25/h4-5,15-17H,1-3,6-14H2,(H,23,26)
InChIKeyKLDVFKSSRHHUAZ-UHFFFAOYSA-N
XLogP3.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353151
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122351982
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
1-(2-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967285
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide
CID 122318757
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353098

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide (CID 122353091) is N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide is O=C(NCc1ccnc(N2CCCCC2)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide?
The InChIKey is KLDVFKSSRHHUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c26-19(21-11-15-8-16(12-21)10-17(9-15)13-21)23-14-18-4-5-22-20(24-18)25-6-2-1-3-7-25/h4-5,15-17H,1-3,6-14H2,(H,23,26).
What are the key properties of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide?
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 122353091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).