methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate

C20H29N3O3 — CID 8591015

IUPACmethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-26-20(25)16-9-13-22(14-10-16)15-19(24)21-17-5-7-18(8-6-17)23-11-3-2-4-12-23/h5-8,16H,2-4,9-15H2,1H3,(H,21,24)
InChIKeyORQLYXVFIUXFRA-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.50
Rot. Bonds5

About methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate

methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate (PubChem CID 8591015) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
PubChem CID8591015
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Namemethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-26-20(25)16-9-13-22(14-10-16)15-19(24)21-17-5-7-18(8-6-17)23-11-3-2-4-12-23/h5-8,16H,2-4,9-15H2,1H3,(H,21,24)
InChIKeyORQLYXVFIUXFRA-UHFFFAOYSA-N
XLogP2.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742171
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60561318
2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
CID 166024724
methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate
CID 8741640
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 51172052
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2400583

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate (CID 8591015) is methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate?
The InChIKey is ORQLYXVFIUXFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-26-20(25)16-9-13-22(14-10-16)15-19(24)21-17-5-7-18(8-6-17)23-11-3-2-4-12-23/h5-8,16H,2-4,9-15H2,1H3,(H,21,24).
What are the key properties of methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8591015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).