1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C21H34N4O2 — CID 56863504

IUPAC1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCCOCCN1CCC(N2CCCC(C(=O)NCc3cccnc3)C2)CC1
InChIInChI=1S/C21H34N4O2/c1-2-27-14-13-24-11-7-20(8-12-24)25-10-4-6-19(17-25)21(26)23-16-18-5-3-9-22-15-18/h3,5,9,15,19-20H,2,4,6-8,10-14,16-17H2,1H3,(H,23,26)
InChIKeyWNFODZKISPCRLF-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.91
Rot. Bonds8

About 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 56863504) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID56863504
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCCOCCN1CCC(N2CCCC(C(=O)NCc3cccnc3)C2)CC1
InChIInChI=1S/C21H34N4O2/c1-2-27-14-13-24-11-7-20(8-12-24)25-10-4-6-19(17-25)21(26)23-16-18-5-3-9-22-15-18/h3,5,9,15,19-20H,2,4,6-8,10-14,16-17H2,1H3,(H,23,26)
InChIKeyWNFODZKISPCRLF-UHFFFAOYSA-N
XLogP1.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide 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

(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95539325
(3R)-1-[1-(4-methylpentyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95455862
1-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56864966
1-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 45226362
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
(3S)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574704
(3R)-1-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573564
1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96576575
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
(3R)-1-[1-(3-hydroxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95215208

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 56863504) is 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CCOCCN1CCC(N2CCCC(C(=O)NCc3cccnc3)C2)CC1.
What is the InChIKey of 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WNFODZKISPCRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-2-27-14-13-24-11-7-20(8-12-24)25-10-4-6-19(17-25)21(26)23-16-18-5-3-9-22-15-18/h3,5,9,15,19-20H,2,4,6-8,10-14,16-17H2,1H3,(H,23,26).
What are the key properties of 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56863504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).