N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide

C21H26N4O2 — CID 97117572

IUPACN-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C21H26N4O2/c1-15-19(14-23-20(24-15)17-8-4-3-5-9-17)21(27)25-13-7-6-10-18(25)11-12-22-16(2)26/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeyRQUJWVHAZSHCTC-SFHVURJKSA-N
MW366.47 g/mol
LogP2.97
Rot. Bonds5

About N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide

N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide (PubChem CID 97117572) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
PubChem CID97117572
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C21H26N4O2/c1-15-19(14-23-20(24-15)17-8-4-3-5-9-17)21(27)25-13-7-6-10-18(25)11-12-22-16(2)26/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeyRQUJWVHAZSHCTC-SFHVURJKSA-N
XLogP2.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125390
N-[2-[(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125389
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 95728140
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 95861478
N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 136567066
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72939622
4-(N-ethyl-3-methylanilino)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 93135237

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide (CID 97117572) is N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)nc1C.
What is the InChIKey of N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide?
The InChIKey is RQUJWVHAZSHCTC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-19(14-23-20(24-15)17-8-4-3-5-9-17)21(27)25-13-7-6-10-18(25)11-12-22-16(2)26/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide?
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 97117572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).