4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide

C22H28N4O2 — CID 112974901

IUPAC4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)CCCC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(26-14-12-25(13-15-26)21-7-3-4-10-23-21)24-11-16-28-20-9-8-18-5-1-2-6-19(18)17-20/h3-4,7-10,17H,1-2,5-6,11-16H2,(H,24,27)
InChIKeyBALDQJFJOIDSAK-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.87
Rot. Bonds5

About 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide

4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide (PubChem CID 112974901) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
PubChem CID112974901
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)CCCC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(26-14-12-25(13-15-26)21-7-3-4-10-23-21)24-11-16-28-20-9-8-18-5-1-2-6-19(18)17-20/h3-4,7-10,17H,1-2,5-6,11-16H2,(H,24,27)
InChIKeyBALDQJFJOIDSAK-UHFFFAOYSA-N
XLogP2.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112970343
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794
4-pyridin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974307
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 27234059
(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 27234057
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112977019
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108885377
4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975814
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide (CID 112974901) is 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide is O=C(NCCOc1ccc2c(c1)CCCC2)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide?
The InChIKey is BALDQJFJOIDSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(26-14-12-25(13-15-26)21-7-3-4-10-23-21)24-11-16-28-20-9-8-18-5-1-2-6-19(18)17-20/h3-4,7-10,17H,1-2,5-6,11-16H2,(H,24,27).
What are the key properties of 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide?
4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 112974901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).