N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide

C20H27N5O — CID 95107912

IUPACN-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N[C@H]1CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C20H27N5O/c1-15-7-4-5-8-16(15)11-20(26)23-17-9-6-10-25(13-17)19-12-18(24(2)3)21-14-22-19/h4-5,7-8,12,14,17H,6,9-11,13H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyGCILYFXETISOCU-KRWDZBQOSA-N
MW353.47 g/mol
LogP2.18
Rot. Bonds5

About N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide

N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide (PubChem CID 95107912) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide
PubChem CID95107912
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N[C@H]1CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C20H27N5O/c1-15-7-4-5-8-16(15)11-20(26)23-17-9-6-10-25(13-17)19-12-18(24(2)3)21-14-22-19/h4-5,7-8,12,14,17H,6,9-11,13H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyGCILYFXETISOCU-KRWDZBQOSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 95107896
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-fluorobenzamide
CID 95107883
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide
CID 95107873
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 154849852
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 66570081
2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740846
N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
CID 154782534
2-(3,5-dimethylpyrazol-1-yl)-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124942990

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide (CID 95107912) is N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N[C@H]1CCCN(c2cc(N(C)C)ncn2)C1.
What is the InChIKey of N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is GCILYFXETISOCU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-7-4-5-8-16(15)11-20(26)23-17-9-6-10-25(13-17)19-12-18(24(2)3)21-14-22-19/h4-5,7-8,12,14,17H,6,9-11,13H2,1-3H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide?
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 95107912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).