ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate

C16H23N3O3 — CID 31369357

IUPACethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2cccnc2)CC1
InChIInChI=1S/C16H23N3O3/c1-2-22-16(21)19-10-7-14(8-11-19)18-15(20)6-5-13-4-3-9-17-12-13/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,18,20)
InChIKeyHFQBOHYSPHNUCN-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.75
Rot. Bonds5

About ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate

ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate (PubChem CID 31369357) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
PubChem CID31369357
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2cccnc2)CC1
InChIInChI=1S/C16H23N3O3/c1-2-22-16(21)19-10-7-14(8-11-19)18-15(20)6-5-13-4-3-9-17-12-13/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,18,20)
InChIKeyHFQBOHYSPHNUCN-UHFFFAOYSA-N
XLogP1.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(3-pyridin-3-ylpropanoylamino)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-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
ethyl 4-[[N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111023362
N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 77081879
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023489
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
ethyl 4-[[2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45207560
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 91773911
ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 110753942
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate (CID 31369357) is ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2cccnc2)CC1.
What is the InChIKey of ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is HFQBOHYSPHNUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-22-16(21)19-10-7-14(8-11-19)18-15(20)6-5-13-4-3-9-17-12-13/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,18,20).
What are the key properties of ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate?
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 31369357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).