2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

C23H33N5O — CID 102563603

IUPAC2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CN2CCCC(c3ccnc(N)n3)C2)cc1
InChIInChI=1S/C23H33N5O/c1-16(2)13-18-6-8-19(9-7-18)17(3)26-22(29)15-28-12-4-5-20(14-28)21-10-11-25-23(24)27-21/h6-11,16-17,20H,4-5,12-15H2,1-3H3,(H,26,29)(H2,24,25,27)
InChIKeyWWQKZQSAORPZOI-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.31
Rot. Bonds7

About 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (PubChem CID 102563603) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
PubChem CID102563603
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CN2CCCC(c3ccnc(N)n3)C2)cc1
InChIInChI=1S/C23H33N5O/c1-16(2)13-18-6-8-19(9-7-18)17(3)26-22(29)15-28-12-4-5-20(14-28)21-10-11-25-23(24)27-21/h6-11,16-17,20H,4-5,12-15H2,1-3H3,(H,26,29)(H2,24,25,27)
InChIKeyWWQKZQSAORPZOI-UHFFFAOYSA-N
XLogP3.31
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 95821349
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride
CID 120775645
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide
CID 100625483
(3S)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9305169
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide;hydrochloride
CID 119925580
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 125147582
(3R)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 124693934

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (CID 102563603) is 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is CC(C)Cc1ccc(C(C)NC(=O)CN2CCCC(c3ccnc(N)n3)C2)cc1.
What is the InChIKey of 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The InChIKey is WWQKZQSAORPZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16(2)13-18-6-8-19(9-7-18)17(3)26-22(29)15-28-12-4-5-20(14-28)21-10-11-25-23(24)27-21/h6-11,16-17,20H,4-5,12-15H2,1-3H3,(H,26,29)(H2,24,25,27).
What are the key properties of 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 102563603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).