N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide

C22H33N5O — CID 119036492

IUPACN-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCC(c2ccnc(N)n2)C1
InChIInChI=1S/C22H33N5O/c1-14(27-6-2-3-18(13-27)19-4-5-24-21(23)25-19)20(28)26-22-10-15-7-16(11-22)9-17(8-15)12-22/h4-5,14-18H,2-3,6-13H2,1H3,(H,26,28)(H2,23,24,25)
InChIKeyMUPOAQNQOQBHTP-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.71
Rot. Bonds4

About N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide

N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide (PubChem CID 119036492) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide
PubChem CID119036492
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCC(c2ccnc(N)n2)C1
InChIInChI=1S/C22H33N5O/c1-14(27-6-2-3-18(13-27)19-4-5-24-21(23)25-19)20(28)26-22-10-15-7-16(11-22)9-17(8-15)12-22/h4-5,14-18H,2-3,6-13H2,1H3,(H,26,28)(H2,23,24,25)
InChIKeyMUPOAQNQOQBHTP-UHFFFAOYSA-N
XLogP2.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide
CID 100625483
(2R)-2-[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 100718408
N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919985
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 95821349
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 102563603
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide (CID 119036492) is N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide is CC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCC(c2ccnc(N)n2)C1.
What is the InChIKey of N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide?
The InChIKey is MUPOAQNQOQBHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-14(27-6-2-3-18(13-27)19-4-5-24-21(23)25-19)20(28)26-22-10-15-7-16(11-22)9-17(8-15)12-22/h4-5,14-18H,2-3,6-13H2,1H3,(H,26,28)(H2,23,24,25).
What are the key properties of N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide?
N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide has a molecular weight of 383.54 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 119036492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).