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

C21H27N5O2 — CID 112975037

IUPAC4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1cccc2c1CCCC2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H27N5O2/c27-21(26-14-12-25(13-15-26)20-22-9-4-10-23-20)24-11-16-28-19-8-3-6-17-5-1-2-7-18(17)19/h3-4,6,8-10H,1-2,5,7,11-16H2,(H,24,27)
InChIKeyWYCLHWRCUCZYSF-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.27
Rot. Bonds5

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

4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide (PubChem CID 112975037) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
PubChem CID112975037
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1cccc2c1CCCC2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H27N5O2/c27-21(26-14-12-25(13-15-26)20-22-9-4-10-23-20)24-11-16-28-19-8-3-6-17-5-1-2-7-18(17)19/h3-4,6,8-10H,1-2,5,7,11-16H2,(H,24,27)
InChIKeyWYCLHWRCUCZYSF-UHFFFAOYSA-N
XLogP2.27
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112975032
4-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperidine-1-carboxamide
CID 112974982
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112975029
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974308
N-[(2,3-dimethylphenoxy)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108878483
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
N-(2-propoxyethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 121495669
4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
CID 112974901

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide (CID 112975037) is 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide is O=C(NCCOc1cccc2c1CCCC2)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide?
The InChIKey is WYCLHWRCUCZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-21(26-14-12-25(13-15-26)20-22-9-4-10-23-20)24-11-16-28-19-8-3-6-17-5-1-2-7-18(17)19/h3-4,6,8-10H,1-2,5,7,11-16H2,(H,24,27).
What are the key properties of 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide?
4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 112975037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).