N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide

C20H24N4O3 — CID 128950826

IUPACN-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C20H24N4O3/c1-14-12-16(19(26)24-11-4-3-6-15(24)2)7-8-17(14)22-18(25)13-23-10-5-9-21-20(23)27/h5,7-10,12,15H,3-4,6,11,13H2,1-2H3,(H,22,25)
InChIKeyHIDUOEFBDVRNFJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.21
Rot. Bonds4

About N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 128950826) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID128950826
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C20H24N4O3/c1-14-12-16(19(26)24-11-4-3-6-15(24)2)7-8-17(14)22-18(25)13-23-10-5-9-21-20(23)27/h5,7-10,12,15H,3-4,6,11,13H2,1-2H3,(H,22,25)
InChIKeyHIDUOEFBDVRNFJ-UHFFFAOYSA-N
XLogP2.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone
CID 119038941
4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43355938
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 95279539
2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
CID 86933803
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
CID 95139458
[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 100623753
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 128950826) is N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide is Cc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)Cn1cccnc1=O.
What is the InChIKey of N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is HIDUOEFBDVRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-12-16(19(26)24-11-4-3-6-15(24)2)7-8-17(14)22-18(25)13-23-10-5-9-21-20(23)27/h5,7-10,12,15H,3-4,6,11,13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 128950826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).