(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide

C19H25N5O — CID 100625483

IUPAC(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1CCC[C@@H](c2ccnc(N)n2)C1
InChIInChI=1S/C19H25N5O/c1-14(18(25)22-12-15-6-3-2-4-7-15)24-11-5-8-16(13-24)17-9-10-21-19(20)23-17/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,22,25)(H2,20,21,23)/t14-,16-/m1/s1
InChIKeyCGTOCOIWWNHPIS-GDBMZVCRSA-N
MW339.44 g/mol
LogP1.94
Rot. Bonds5

About (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide

(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide (PubChem CID 100625483) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide
PubChem CID100625483
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1CCC[C@@H](c2ccnc(N)n2)C1
InChIInChI=1S/C19H25N5O/c1-14(18(25)22-12-15-6-3-2-4-7-15)24-11-5-8-16(13-24)17-9-10-21-19(20)23-17/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,22,25)(H2,20,21,23)/t14-,16-/m1/s1
InChIKeyCGTOCOIWWNHPIS-GDBMZVCRSA-N
XLogP1.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide
CID 119036492
(2R)-2-[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 100718408
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
1-[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-2-phenylethanone
CID 95844946
4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 95821349
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95308982
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
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide?
The IUPAC name of (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide (CID 100625483) is (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide?
The canonical SMILES for (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide is C[C@H](C(=O)NCc1ccccc1)N1CCC[C@@H](c2ccnc(N)n2)C1.
What is the InChIKey of (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide?
The InChIKey is CGTOCOIWWNHPIS-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(18(25)22-12-15-6-3-2-4-7-15)24-11-5-8-16(13-24)17-9-10-21-19(20)23-17/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,22,25)(H2,20,21,23)/t14-,16-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide?
(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide is sourced from PubChem (CID 100625483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).