ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate

C22H33N3O3 — CID 42148156

IUPACethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(CCC(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O3/c1-2-28-22(27)25-16-12-20(13-17-25)24-14-10-18(11-15-24)8-9-21(26)23-19-6-4-3-5-7-19/h3-7,18,20H,2,8-17H2,1H3,(H,23,26)
InChIKeyORDKUTAMXQALRO-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.74
Rot. Bonds6

About ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 42148156) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID42148156
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Nameethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(CCC(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O3/c1-2-28-22(27)25-16-12-20(13-17-25)24-14-10-18(11-15-24)8-9-21(26)23-19-6-4-3-5-7-19/h3-7,18,20H,2,8-17H2,1H3,(H,23,26)
InChIKeyORDKUTAMXQALRO-UHFFFAOYSA-N
XLogP3.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 1151828
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
ethyl 4-[4-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45214419
3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
benzyl 4-(3-hydrazinyl-3-oxopropyl)piperidine-1-carboxylate
CID 11335745
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
ethyl 4-[4-(butanoylamino)anilino]piperidine-1-carboxylate
CID 112984321
ethyl 4-[3-(benzylamino)propyl]piperidine-1-carboxylate
CID 21241620

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate (CID 42148156) is ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(CCC(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is ORDKUTAMXQALRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-2-28-22(27)25-16-12-20(13-17-25)24-14-10-18(11-15-24)8-9-21(26)23-19-6-4-3-5-7-19/h3-7,18,20H,2,8-17H2,1H3,(H,23,26).
What are the key properties of ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 387.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 42148156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).