4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide

C19H29N3O — CID 20795339

IUPAC4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2cccc3c2CCCC3)CC1
InChIInChI=1S/C19H29N3O/c1-2-3-11-21-12-14-22(15-13-21)19(23)20-18-10-6-8-16-7-4-5-9-17(16)18/h6,8,10H,2-5,7,9,11-15H2,1H3,(H,20,23)
InChIKeyAXTZQMZHNVVQIF-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.52
Rot. Bonds4

About 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide

4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide (PubChem CID 20795339) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
PubChem CID20795339
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2cccc3c2CCCC3)CC1
InChIInChI=1S/C19H29N3O/c1-2-3-11-21-12-14-22(15-13-21)19(23)20-18-10-6-8-16-7-4-5-9-17(16)18/h6,8,10H,2-5,7,9,11-15H2,1H3,(H,20,23)
InChIKeyAXTZQMZHNVVQIF-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 166230886
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 20795261
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113103823
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
3-(4-naphthalen-1-ylpiperazin-1-yl)propyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 23176306

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The IUPAC name of 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide (CID 20795339) is 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide is CCCCN1CCN(C(=O)Nc2cccc3c2CCCC3)CC1.
What is the InChIKey of 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The InChIKey is AXTZQMZHNVVQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-3-11-21-12-14-22(15-13-21)19(23)20-18-10-6-8-16-7-4-5-9-17(16)18/h6,8,10H,2-5,7,9,11-15H2,1H3,(H,20,23).
What are the key properties of 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 20795339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).