(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide

C18H26N4O3 — CID 9304559

IUPAC(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C18H26N4O3/c1-13-5-7-15(8-6-13)20-16(23)11-21(2)17(24)12-22-9-3-4-14(10-22)18(19)25/h5-8,14H,3-4,9-12H2,1-2H3,(H2,19,25)(H,20,23)/t14-/m1/s1
InChIKeyYATCLVVFQCIOAA-CQSZACIVSA-N
MW346.43 g/mol
LogP0.59
Rot. Bonds6

About (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9304559) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9304559
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C18H26N4O3/c1-13-5-7-15(8-6-13)20-16(23)11-21(2)17(24)12-22-9-3-4-14(10-22)18(19)25/h5-8,14H,3-4,9-12H2,1-2H3,(H2,19,25)(H,20,23)/t14-/m1/s1
InChIKeyYATCLVVFQCIOAA-CQSZACIVSA-N
XLogP0.59
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583021
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959400
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8904009
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304613
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 40706204
(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538408

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide (CID 9304559) is (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)CN2CCC[C@@H](C(N)=O)C2)cc1.
What is the InChIKey of (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is YATCLVVFQCIOAA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-5-7-15(8-6-13)20-16(23)11-21(2)17(24)12-22-9-3-4-14(10-22)18(19)25/h5-8,14H,3-4,9-12H2,1-2H3,(H2,19,25)(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9304559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).