2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide

C20H26N4O2 — CID 95729586

IUPAC2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(N[C@H]2CCCN(CC(=O)Nc3ccc(C)cn3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-5-10-19(21-12-15)23-20(25)14-24-11-3-4-17(13-24)22-16-6-8-18(26-2)9-7-16/h5-10,12,17,22H,3-4,11,13-14H2,1-2H3,(H,21,23,25)/t17-/m0/s1
InChIKeyGESJYRNIQRAXIS-KRWDZBQOSA-N
MW354.45 g/mol
LogP2.91
Rot. Bonds6

About 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide

2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 95729586) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID95729586
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(N[C@H]2CCCN(CC(=O)Nc3ccc(C)cn3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-5-10-19(21-12-15)23-20(25)14-24-11-3-4-17(13-24)22-16-6-8-18(26-2)9-7-16/h5-10,12,17,22H,3-4,11,13-14H2,1-2H3,(H,21,23,25)/t17-/m0/s1
InChIKeyGESJYRNIQRAXIS-KRWDZBQOSA-N
XLogP2.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401
N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide
CID 95719460
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
3-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111732167
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 87013245
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide (CID 95729586) is 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide is COc1ccc(N[C@H]2CCCN(CC(=O)Nc3ccc(C)cn3)C2)cc1.
What is the InChIKey of 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is GESJYRNIQRAXIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-5-10-19(21-12-15)23-20(25)14-24-11-3-4-17(13-24)22-16-6-8-18(26-2)9-7-16/h5-10,12,17,22H,3-4,11,13-14H2,1-2H3,(H,21,23,25)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 95729586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).